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

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid (2-cumidino-2-keto-ethyl) ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-13(2)14-7-9-15(10-8-14)22-19(24)12-27-20(25)11-18-21(26)23-16-5-3-4-6-17(16)28-18/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)(H,23,26)/t18-/m0/s1