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

Systemtic Name: ethyl 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 3-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]benzoate Traditional Name: 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H22N2O5S2/c1-2-30-23(27)17-8-5-9-19(14-17)24-22(26)21-20(11-13-31-21)32(28,29)25-12-10-16-6-3-4-7-18(16)15-25/h3-9,11,13-14H,2,10,12,15H2,1H3,(H,24,26)