methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(homoveratrylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S2/c1-24-14-8-7-12(11-15(14)25-2)9-10-21-20(27)22-18-17(19(23)26-3)13-5-4-6-16(13)28-18/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,22,27)