[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C29H22N2O3S MolecularWeight: 478.56158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=CC4=C3C(=CC=C4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H22N2O3S/c32-26(31-16-15-19-7-1-2-8-21(19)17-31)18-34-29(33)23-12-6-10-20-9-5-11-22(27(20)23)28-30-24-13-3-4-14-25(24)35-28/h1-14H,15-18H2