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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=C3C(=O)N(C(=O)S3)CC#C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)CC#C)C

InChI

InChI=1S/C22H20N2O4S/c1-6-9-23-20(25)19(29-22(23)27)12-17-10-14(3)24(15(17)4)18-11-16(21(26)28-5)8-7-13(18)2/h1,7-8,10-12H,9H2,2-5H3/b19-12+