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

Systemtic Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[methyl-[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13(14-6-4-3-5-7-14)21(2)18(22)11-24-19(23)15-8-9-16-17(10-15)25-12-20-16/h3-10,12-13H,11H2,1-2H3/t13-/m1/s1