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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=S)S3)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C3C(=O)N(C(=S)S3)CC=C

InChI

InChI=1S/C21H20N2O3S2/c1-5-10-22-19(24)18(28-21(22)27)12-16-11-13(2)23(14(16)3)17-8-6-15(7-9-17)20(25)26-4/h5-9,11-12H,1,10H2,2-4H3