(2E)-2-[(3-chlorophenyl)methylidene]-4-(2-formamidoethylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-formamidoethylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: (2E)-2-[(3-chlorophenyl)methylene]-4-(2-formamidoethylsulfanyl)-3-oxo-butanoate CAS Name: (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-formamidoethylthio)-3-oxobutanoate IUPAC Name: (2E)-2-[(3-chlorophenyl)methylidene]-4-(2-formamidoethylsulfanyl)-3-oxobutanoate Traditional Name: (E)-3-(3-chlorophenyl)-2-[2-(2-formamidoethylthio)acetyl]acrylate Formula: C14H13ClNO4S- MolecularWeight: 326.77532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C=C(C(=O)CSCCNC=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)/C=C(\C(=O)CSCCNC=O)/C(=O)[O-]

InChI

InChI=1S/C14H14ClNO4S/c15-11-3-1-2-10(6-11)7-12(14(19)20)13(18)8-21-5-4-16-9-17/h1-3,6-7,9H,4-5,8H2,(H,16,17)(H,19,20)/p-1/b12-7+