diethyl (4R)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate

Systemtic Name: diethyl (4R)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Openeye Name: diethyl (4R)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate CAS Name: (4R)-2-[[anilino(sulfanylidene)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4R)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate Traditional Name: (4R)-2-(phenylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylic acid diethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C1C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC2=C1C(=C(S2)NC(=S)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S2/c1-3-25-18(23)13-10-11-14-15(13)16(19(24)26-4-2)17(28-14)22-20(27)21-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H2,21,22,27)/t13-/m1/s1