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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S/c1-13(2)8-9-19-16(22)11-24-17(23)15-12-25-18(21-15)20-10-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,19,22)(H,20,21)