(Z)-3-(1,3-benzothiazol-2-ylsulfanyl)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-ylsulfanyl)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-ylsulfanyl)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-ylthio)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-ylsulfanyl)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-ylthio)-4-keto-4-methoxy-but-2-enoic acid Formula: C12H9NO4S2 MolecularWeight: 295.33416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)/C(=C/C(=O)O)/SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H9NO4S2/c1-17-11(16)9(6-10(14)15)19-12-13-7-4-2-3-5-8(7)18-12/h2-6H,1H3,(H,14,15)/b9-6-