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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-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-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O4S/c1-3-15-8-10-16(11-9-15)22-21(26)14(2)27-20(25)12-23-17-6-4-5-7-18(17)28-13-19(23)24/h4-11,14H,3,12-13H2,1-2H3,(H,22,26)/t14-/m0/s1