[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C22H26N2O7S2/c1-5-33(28,29)24-11-16-9-7-6-8-15(16)10-17(24)21(26)31-12-18(25)23-20-19(22(27)30-4)13(2)14(3)32-20/h6-9,17H,5,10-12H2,1-4H3,(H,23,25)