methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]carbamoyl]benzoate CAS Name: 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]carbamoyl]benzoate Traditional Name: 4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]carbamoyl]benzoic acid methyl ester Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O3S/c1-29-24(28)19-8-6-18(7-9-19)23(27)25-14-22(21-11-13-30-16-21)26-12-10-17-4-2-3-5-20(17)15-26/h2-9,11,13,16,22H,10,12,14-15H2,1H3,(H,25,27)