[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

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