4-[(5E)-5-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5E)-5-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5E)-5-[[5-(3-nitrophenyl)-2-thienyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5E)-5-[[5-(3-nitrophenyl)-2-thiophenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5E)-5-[[5-(3-nitrophenyl)thiophen-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5E)-4-keto-5-[[5-(3-nitrophenyl)-2-thienyl]methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C18H13N2O5S3- MolecularWeight: 433.50122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)[O-]

InChI

InChI=1S/C18H14N2O5S3/c21-16(22)5-2-8-19-17(23)15(28-18(19)26)10-13-6-7-14(27-13)11-3-1-4-12(9-11)20(24)25/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)/p-1/b15-10+