methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(4,5-dimethoxy-2-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-carbomethoxy-4,5-dimethoxy-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)OC

InChI

InChI=1S/C20H22N2O6S2/c1-25-13-8-11(18(23)27-3)12(9-14(13)26-2)21-20(29)22-17-16(19(24)28-4)10-6-5-7-15(10)30-17/h8-9H,5-7H2,1-4H3,(H2,21,22,29)