IUPAC Name: (2S)-3-methyl-2-[(5E)-4-oxo-5-[(4-prop-2-enoxyphenyl)methy

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	376.46982 [g/mol]
Molecular Formula	C18H18NO4S2-
H-Bond Donor	0
H-Bond Acceptor	4
Rotatable Bond Count	6
Exact Mass	376.067724
MonoIsotopic Mass	376.067724
Topological Polar Surface Area	69.7
Heavy Atom Count	25
Formal Charge	-1
Complexity	574
Isotope Atom Count	0
Defined Atom StereoCenter Count	1
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	1
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: (2S)-3-methyl-2-[(5E)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-
sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Canonical SMILES: CC(C)C(C(=O)[O-])N1C(=O)C(=CC2=CC=C(C=C2)OCC=C)SC1=S
Isomeric SMILES: CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=CC=C(C=C2)OCC=C)/SC1=S
InChI: InChI=1/C18H19NO4S2/c1-4-9-23-13-7-5-12(6-8-13)10-14-16(20)19(18(24)25-
14)15(11(2)3)17(21)22/h4-8,10-11,15H,1,9H2,2-3H3,(H,21,
22)/p-1/b14-10+/t15-/m0/s1/fC18H18NO4S2/q-1