methyl 4-[2,5-dimethyl-3-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]-3-methyl-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]-3-methyl-benzoate Openeye Name: methyl 4-[3-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoate CAS Name: 4-[2,5-dimethyl-3-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]-1-pyrrolyl]-3-methylbenzoic 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]-3-methylbenzoate Traditional Name: 4-[3-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-3-methyl-benzoic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S2/c1-6-9-23-20(25)19(29-22(23)28)12-17-11-14(3)24(15(17)4)18-8-7-16(10-13(18)2)21(26)27-5/h6-8,10-12H,1,9H2,2-5H3