[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C20H20N2O3S/c1-2-6-16(14-7-4-3-5-8-14)22-19(23)12-25-20(24)15-9-10-17-18(11-15)26-13-21-17/h3-5,7-11,13,16H,2,6,12H2,1H3,(H,22,23)/t16-/m1/s1