ethyl 4-(4-methylphenyl)-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=S)N3CCCC3

InChI

InChI=1S/C19H22N2O2S2/c1-3-23-18(22)16-15(14-8-6-13(2)7-9-14)12-25-17(16)20-19(24)21-10-4-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,24)