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

Systemtic Name: [2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-methoxyanilino)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(o-anisidino)ethyl] ester Formula: C24H24N2O6S2 MolecularWeight: 500.58716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC(=O)CC2C3=CC=CC=C3CCN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H24N2O6S2/c1-31-21-10-5-4-9-19(21)25-22(27)16-32-23(28)15-20-18-8-3-2-7-17(18)12-13-26(20)34(29,30)24-11-6-14-33-24/h2-11,14,20H,12-13,15-16H2,1H3,(H,25,27)