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

Systemtic Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C24H20N2O3S/c27-23(15-29-24(28)19-11-12-20-22(14-19)30-16-25-20)26-21(18-9-5-2-6-10-18)13-17-7-3-1-4-8-17/h1-12,14,16,21H,13,15H2,(H,26,27)/t21-/m1/s1