methyl 4-[(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]benzoate Openeye Name: methyl 4-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate CAS Name: 4-[oxo-[[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoate Traditional Name: 4-[[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CS4)C=C2

InChI

InChI=1S/C23H20N2O4S/c1-29-23(28)17-6-4-16(5-7-17)21(26)24-19-9-8-15-10-11-25(14-18(15)13-19)22(27)20-3-2-12-30-20/h2-9,12-13H,10-11,14H2,1H3,(H,24,26)