1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-pyrrolidin-1-yl-hex-5-en-1-ol

Systemtic Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-pyrrolidin-1-yl-hex-5-en-1-ol Openeye Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-pyrrolidin-1-yl-hex-5-en-1-ol CAS Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-(1-pyrrolidinyl)-5-hexen-1-ol IUPAC Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-pyrrolidin-1-ylhex-5-en-1-ol Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-5-methyl-2-pyrrolidino-hex-5-en-1-ol Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC(C(N1C(CSC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)O)N4CCCC4

Isomeric SMILES

CC(=C)CCC(C(N1C(CSC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC)O)N4CCCC4

InChI

InChI=1S/C27H36N2O3S/c1-19(2)11-13-22(28-15-7-8-16-28)27(30)29-21-9-5-6-10-26(21)33-18-23(29)20-12-14-24(31-3)25(17-20)32-4/h5-6,9-10,12,14,17,22-23,27,30H,1,7-8,11,13,15-16,18H2,2-4H3