ethyl 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate

Systemtic Name: ethyl 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: ethyl 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]acetic acid ethyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N2O5S2/c1-2-25-18(22)12-20-15-11-14(7-8-16(15)26-13-17(20)21)27(23,24)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10,12-13H2,1H3