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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CSC(=N1)NCC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O3S/c1-3-14(4-2)20-16(22)11-24-17(23)15-12-25-18(21-15)19-10-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,19,21)(H,20,22)