dimethyl 5-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(indan-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(indan-2-ylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CC3=CC=CC=C3C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2CC3=CC=CC=C3C2)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-25-18(23)14-7-15(19(24)26-2)11-17(10-14)22-20(27)21-16-8-12-5-3-4-6-13(12)9-16/h3-7,10-11,16H,8-9H2,1-2H3,(H2,21,22,27)