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

Systemtic Name: methyl 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: methyl 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetate CAS Name: 2-[[oxo-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]acetate Traditional Name: 2-[[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]acetic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O5S2/c1-24-15(20)10-18-17(21)14-9-12-5-2-3-6-13(12)11-19(14)26(22,23)16-7-4-8-25-16/h2-8,14H,9-11H2,1H3,(H,18,21)