[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-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 [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2O4S/c21-16(20-9-5-1-2-6-10-20)12-24-17(22)11-15-18(23)19-13-7-3-4-8-14(13)25-15/h3-4,7-8,15H,1-2,5-6,9-12H2,(H,19,23)