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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-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-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C17H19N3O4S/c1-19(9-4-8-18)15(21)11-24-17(23)7-10-20-13-5-2-3-6-14(13)25-12-16(20)22/h2-3,5-6H,4,7,9-12H2,1H3