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

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)acetic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O4S/c1-14-7-9-16(10-8-14)11-22-21(26)15(2)27-20(25)12-23-17-5-3-4-6-18(17)28-13-19(23)24/h3-10,15H,11-13H2,1-2H3,(H,22,26)/t15-/m0/s1