ethyl 2-[[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylcarbamothioylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylcarbamothioylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-[(2,2-dichloro-1-methyl-cyclopropanecarbonyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[[[(2,2-dichloro-1-methylcyclopropyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[(2,2-dichloro-1-methyl-cyclopropanecarbonyl)thiocarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C23H25Cl2N3O3S2 MolecularWeight: 526.4989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(=O)C4(CC4(Cl)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(=O)C4(CC4(Cl)Cl)C

InChI

InChI=1S/C23H25Cl2N3O3S2/c1-3-31-19(29)17-15-9-10-28(11-14-7-5-4-6-8-14)12-16(15)33-18(17)26-21(32)27-20(30)22(2)13-23(22,24)25/h4-8H,3,9-13H2,1-2H3,(H2,26,27,30,32)