ethyl 5-methyl-4-phenyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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=CC=C2)C)NC(=S)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S2/c1-3-23-18(22)16-15(14-9-5-4-6-10-14)13(2)25-17(16)20-19(24)21-11-7-8-12-21/h4-6,9-10H,3,7-8,11-12H2,1-2H3,(H,20,24)