1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(o-anisoylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22N2O4S/c1-13(2)19(23-20(24)14-8-4-6-10-16(14)26-3)21(25)27-12-18-22-15-9-5-7-11-17(15)28-18/h4-11,13,19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1