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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-acetamidothiazole-4-carboxylate CAS Name: 2-acetamido-4-thiazolecarboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate Traditional Name: 2-acetamidothiazole-4-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-12(2)21(9-14-7-5-4-6-8-14)16(23)10-25-17(24)15-11-26-18(20-15)19-13(3)22/h4-8,11-12H,9-10H2,1-3H3,(H,19,20,22)