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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-5,10,12-16,24-25,27,30H,1,6-9,11,17-19H2,2-3H3