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

Systemtic Name: methyl 2-[4-[(3-chloranylphenoxy)methyl]thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[4-[(3-chlorophenoxy)methyl]-2-thiophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[(3-chlorophenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C23H20ClNO4S MolecularWeight: 441.9272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClNO4S/c1-28-23(27)20-10-16-5-2-3-6-17(16)12-25(20)22(26)21-9-15(14-30-21)13-29-19-8-4-7-18(24)11-19/h2-9,11,14,20H,10,12-13H2,1H3