methyl 2-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]benzoate

Systemtic Name: methyl 2-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]benzoate Openeye Name: methyl 2-[[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]benzoate CAS Name: 2-[oxo-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]benzoate Traditional Name: 2-[[1-(2-thienylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]benzoic acid methyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O5S2/c1-29-22(26)18-8-3-2-7-17(18)21(25)23-16-10-11-19-15(14-16)6-4-12-24(19)31(27,28)20-9-5-13-30-20/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,23,25)