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

Systemtic Name: ethyl 2-[(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-2-25-16(21)11-19-18(22)15-10-13-6-3-4-7-14(13)12-20(15)27(23,24)17-8-5-9-26-17/h3-9,15H,2,10-12H2,1H3,(H,19,22)