[1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxopropan-2-yl] (3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C23H28N2O6S/c1-4-30-21-13-9-8-12-19(21)24-22(26)16(3)31-23(27)20-14-17-10-6-7-11-18(17)15-25(20)32(28,29)5-2/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)/t16?,20-/m0/s1