(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-11(19)12(8-18)14(21)9-24-17(23)6-7-20-13-4-2-3-5-15(13)25-10-16(20)22/h2-5,12,19H,6-7,9-10H2,1H3