6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCC(=O)N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCC(=O)N4)OC

InChI

InChI=1S/C21H22N2O4S/c1-26-14-6-7-15(18(11-14)27-2)17-4-3-9-23(17)21(25)13-5-8-19-16(10-13)22-20(24)12-28-19/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,22,24)