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

Systemtic Name: methyl 2-[4-[(4-chloranyl-3-methyl-phenoxy)methyl]thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[4-[(4-chloro-3-methylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[(4-chloro-3-methyl-phenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C24H22ClNO4S MolecularWeight: 455.95378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CSC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CSC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)OC)Cl

InChI

InChI=1S/C24H22ClNO4S/c1-15-9-19(7-8-20(15)25)30-13-16-10-22(31-14-16)23(27)26-12-18-6-4-3-5-17(18)11-21(26)24(28)29-2/h3-10,14,21H,11-13H2,1-2H3