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

Systemtic Name: [2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C20H18N2O5S/c1-26-20(25)16(9-13-5-3-2-4-6-13)22-18(23)11-27-19(24)14-7-8-15-17(10-14)28-12-21-15/h2-8,10,12,16H,9,11H2,1H3,(H,22,23)/t16-/m0/s1