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

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=CN3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC=CN3

InChI

InChI=1S/C18H17N3O3S/c1-12-4-6-13(7-5-12)20-16(22)9-17-21-14(11-25-17)10-24-18(23)15-3-2-8-19-15/h2-8,11,19H,9-10H2,1H3,(H,20,22)