[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17N3O4S/c21-10-11-23(14-6-2-1-3-7-14)18(24)13-27-19(25)12-17-20(26)22-15-8-4-5-9-16(15)28-17/h1-9,17H,11-13H2,(H,22,26)