2-[5-[[3-methoxy-4-(3-methylphenyl)carbonyloxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[3-methoxy-4-(3-methylphenyl)carbonyloxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[3-methoxy-4-(3-methylbenzoyl)oxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-methoxy-4-[(3-methylphenyl)-oxomethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[3-methoxy-4-(3-methylbenzoyl)oxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-(3-methoxy-4-m-toluoyloxy-benzylidene)-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C21H17NO6S2 MolecularWeight: 443.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)OC

InChI

InChI=1S/C21H17NO6S2/c1-12-4-3-5-14(8-12)20(26)28-15-7-6-13(9-16(15)27-2)10-17-19(25)22(11-18(23)24)21(29)30-17/h3-10H,11H2,1-2H3,(H,23,24)