[2-methoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-iodanylbenzoate

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C21H16INO4S2 MolecularWeight: 537.39051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H16INO4S2/c1-3-10-23-19(24)18(29-21(23)28)12-13-8-9-16(17(11-13)26-2)27-20(25)14-6-4-5-7-15(14)22/h3-9,11-12H,1,10H2,2H3