[2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[[3-(p-tolylmethyl)thiazol-2-ylidene]amino]ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[[3-[(4-methylphenyl)methyl]-2-thiazolylidene]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]amino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC(=CN3C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CSC2=NC(=O)COC(=O)C3=CC(=CN3C)C(=O)C

InChI

InChI=1S/C21H21N3O4S/c1-14-4-6-16(7-5-14)11-24-8-9-29-21(24)22-19(26)13-28-20(27)18-10-17(15(2)25)12-23(18)3/h4-10,12H,11,13H2,1-3H3