1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-pyrrolidin-1-yl-hept-5-en-1-ol

Systemtic Name: 1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-pyrrolidin-1-yl-hept-5-en-1-ol Openeye Name: 1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-pyrrolidin-1-yl-hept-5-en-1-ol CAS Name: 1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-(1-pyrrolidinyl)-5-hepten-1-ol IUPAC Name: 1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-pyrrolidin-1-ylhept-5-en-1-ol Traditional Name: 1-[3-(4-methoxyphenyl)-2,3-dihydro-1,4-benzothiazin-4-yl]-6-methyl-2-pyrrolidino-hept-5-en-1-ol Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2S/c1-20(2)9-8-11-24(28-17-6-7-18-28)27(30)29-23-10-4-5-12-26(23)32-19-25(29)21-13-15-22(31-3)16-14-21/h4-5,9-10,12-16,24-25,27,30H,6-8,11,17-19H2,1-3H3