3-cyanopropyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: 3-cyanopropyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: 3-cyanopropyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid 3-cyanopropyl ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)OCCCC#N

InChI

InChI=1S/C14H14N2O3S/c15-7-3-4-8-19-13(17)9-12-14(18)16-10-5-1-2-6-11(10)20-12/h1-2,5-6,12H,3-4,8-9H2,(H,16,18)