4-[2-[(Z)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(Z)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(Z)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(Z)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Formula: C18H14N2O3S2 MolecularWeight: 370.44536

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)O)SC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=CN2C3=CC=C(C=C3)C(=O)O)/SC1=S

InChI

InChI=1S/C18H14N2O3S2/c1-2-9-20-16(21)15(25-18(20)24)11-14-4-3-10-19(14)13-7-5-12(6-8-13)17(22)23/h2-8,10-11H,1,9H2,(H,22,23)/b15-11-