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

Systemtic Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-acetyl-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-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2CC3=CC=CC=C3CN2C(=O)C)C

InChI

InChI=1S/C22H24N2O6S/c1-12-13(2)31-20(19(12)22(28)29-4)23-18(26)11-30-21(27)17-9-15-7-5-6-8-16(15)10-24(17)14(3)25/h5-8,17H,9-11H2,1-4H3,(H,23,26)