methyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[[[6-ethyl-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(SC=C3)C(=O)OC)N4C=CC=C4

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(SC=C3)C(=O)OC)N4C=CC=C4

InChI

InChI=1S/C21H24N4O3S2/c1-3-24-10-6-14-15(19(30-17(14)13-24)25-8-4-5-9-25)12-22-21(27)23-16-7-11-29-18(16)20(26)28-2/h4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H2,22,23,27)