[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4CC4)C

InChI

InChI=1S/C22H24N2O4S/c1-13-14(2)29-21(23-20(26)16-7-8-16)19(13)22(27)28-12-18(25)24-10-9-15-5-3-4-6-17(15)11-24/h3-6,16H,7-12H2,1-2H3,(H,23,26)