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

Systemtic Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(indan-5-ylcarbamothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(indan-5-ylthiocarbamoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-10-11(2)24-16(15(10)17(21)22-3)20-18(23)19-14-8-7-12-5-4-6-13(12)9-14/h7-9H,4-6H2,1-3H3,(H2,19,20,23)