3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCC3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C23H26N2O3S/c1-3-27-19-13-16-11-12-25(15-17(16)14-20(19)28-4-2)23(26)10-9-22-24-18-7-5-6-8-21(18)29-22/h5-8,13-14H,3-4,9-12,15H2,1-2H3