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

Systemtic Name: dimethyl 5-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4S2/c1-10-14(17(22)24-2)16(27-15(10)18(23)25-3)21-19(26)20-13-8-7-11-5-4-6-12(11)9-13/h7-9H,4-6H2,1-3H3,(H2,20,21,26)