methyl 2-[6,7-diethoxy-2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-diethoxy-2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-[[3-(methylthio)anilino]-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-[(3-methylsulfanylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-[[3-(methylthio)phenyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)SC)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC(=CC=C3)SC)CC(=O)OC)OCC

InChI

InChI=1S/C24H30N2O5S/c1-5-30-21-12-16-10-11-26(24(28)25-17-8-7-9-18(13-17)32-4)20(15-23(27)29-3)19(16)14-22(21)31-6-2/h7-9,12-14,20H,5-6,10-11,15H2,1-4H3,(H,25,28)