[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-pyrrol-1-ylbenzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-16-7-9-18(10-8-16)23-22-24-19(15-28-22)14-27-21(26)17-5-4-6-20(13-17)25-11-2-3-12-25/h2-13,15H,14H2,1H3,(H,23,24)