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

Systemtic Name: methyl 2-[4-[(2,3-dimethylphenoxy)methyl]thiophen-2-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[[4-[(2,3-dimethylphenoxy)methyl]-2-thiophenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-16-7-6-10-22(17(16)2)30-14-18-11-23(31-15-18)24(27)26-13-20-9-5-4-8-19(20)12-21(26)25(28)29-3/h4-11,15,21H,12-14H2,1-3H3