methyl 2-[4-(phenoxymethyl)thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[4-(phenoxymethyl)thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(phenoxymethyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[oxo-[4-(phenoxymethyl)-2-thiophenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(phenoxymethyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-(phenoxymethyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CS3)COC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC(=CS3)COC4=CC=CC=C4

InChI

InChI=1S/C23H21NO4S/c1-27-23(26)20-12-17-7-5-6-8-18(17)13-24(20)22(25)21-11-16(15-29-21)14-28-19-9-3-2-4-10-19/h2-11,15,20H,12-14H2,1H3