[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C18H23N3O3S/c1-12(2)7-8-19-18-21-15(11-25-18)17(23)24-10-16(22)20-14-6-4-5-13(3)9-14/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,19,21)(H,20,22)