[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C20H18N2O4S/c1-13(23)17(9-14-5-3-2-4-6-14)22-19(24)11-26-20(25)15-7-8-16-18(10-15)27-12-21-16/h2-8,10,12,17H,9,11H2,1H3,(H,22,24)