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

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-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 [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 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-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-15(22(28)25(13-7-12-23)16-8-3-2-4-9-16)29-20(26)14-19-21(27)24-17-10-5-6-11-18(17)30-19/h2-6,8-11,15,19H,7,13-14H2,1H3,(H,24,27)