4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-[(2R)-2-(4-methoxyphenyl)-1-azepanyl]-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-keto-3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]-1,4-benzothiazin-3-one Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C24H28N2O3S/c1-29-19-12-10-18(11-13-19)20-7-3-2-6-15-25(20)23(27)14-16-26-21-8-4-5-9-22(21)30-17-24(26)28/h4-5,8-13,20H,2-3,6-7,14-17H2,1H3/t20-/m1/s1