[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H21NO4S/c1-14-7-9-16(10-8-14)21(25)15(2)26-20(24)11-12-22-17-5-3-4-6-18(17)27-13-19(22)23/h3-10,15H,11-13H2,1-2H3/t15-/m0/s1