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

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 4-aminocarbonylbenzoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic 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 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13-2-8-16(9-3-13)23-18(25)10-19-24-17(12-29-19)11-28-21(27)15-6-4-14(5-7-15)20(22)26/h2-9,12H,10-11H2,1H3,(H2,22,26)(H,23,25)