3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-2,3-dihydro-1,4-benzothiazine

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-2,3-dihydro-1,4-benzothiazine Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-2,3-dihydro-1,4-benzothiazine CAS Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-2,3-dihydro-1,4-benzothiazine IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-2,3-dihydro-1,4-benzothiazine Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(3-isobutoxy-2-pyrrolidino-propyl)-2,3-dihydro-1,4-benzothiazine Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(CSC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)N4CCCC4

Isomeric SMILES

CC(C)COCC(CN1C(CSC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)N4CCCC4

InChI

InChI=1S/C27H38N2O3S/c1-20(2)17-32-18-22(28-13-7-8-14-28)16-29-23-9-5-6-10-27(23)33-19-24(29)21-11-12-25(30-3)26(15-21)31-4/h5-6,9-12,15,20,22,24H,7-8,13-14,16-19H2,1-4H3