diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(indan-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(indan-5-ylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C21H24N2O4S2/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)29-18(16)23-21(28)22-15-10-9-13-7-6-8-14(13)11-15/h9-11H,4-8H2,1-3H3,(H2,22,23,28)