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

Systemtic Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(3,4-diethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-diethoxyphenyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(3,4-diethoxyphenyl)ethylthiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)OCC

InChI

InChI=1S/C22H28N2O4S2/c1-4-27-16-10-9-14(13-17(16)28-5-2)11-12-23-22(29)24-20-19(21(25)26-3)15-7-6-8-18(15)30-20/h9-10,13H,4-8,11-12H2,1-3H3,(H2,23,24,29)