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

Systemtic Name: methyl 3-[3-[[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[3-[(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC#C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)OC)C)C=C3C(=O)N(C(=O)S3)CC#C

InChI

InChI=1S/C22H20N2O4S/c1-6-10-23-20(25)19(29-22(23)27)12-16-11-13(2)24(15(16)4)18-9-7-8-17(14(18)3)21(26)28-5/h1,7-9,11-12H,10H2,2-5H3