methyl 3-[[6,7-dimethoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[6,7-dimethoxy-1-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[6,7-dimethoxy-1-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-(2-keto-2-methoxy-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(SC=C3)C(=O)OC)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=C(SC=C3)C(=O)OC)CC(=O)OC)OC

InChI

InChI=1S/C21H24N2O7S/c1-27-16-9-12-5-7-23(15(11-18(24)29-3)13(12)10-17(16)28-2)21(26)22-14-6-8-31-19(14)20(25)30-4/h6,8-10,15H,5,7,11H2,1-4H3,(H,22,26)