4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-keto-propyl]-1,4-benzothiazin-3-one Formula: C26H26N2O4S2 MolecularWeight: 494.62564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCN3C(=O)CSC4=CC=CC=C43)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCN3C(=O)CSC4=CC=CC=C43)C5=CC=CS5)OC

InChI

InChI=1S/C26H26N2O4S2/c1-31-20-14-17-9-11-28(26(23-8-5-13-33-23)18(17)15-21(20)32-2)24(29)10-12-27-19-6-3-4-7-22(19)34-16-25(27)30/h3-8,13-15,26H,9-12,16H2,1-2H3