1,3-benzothiazol-2-ylmethyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-13(2)20(24-21(25)14-9-15(27-3)11-16(10-14)28-4)22(26)29-12-19-23-17-7-5-6-8-18(17)30-19/h5-11,13,20H,12H2,1-4H3,(H,24,25)/t20-/m0/s1