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

Systemtic Name: ethyl 5-phenyl-3-(pyrrolidin-1-ylcarbothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate CAS Name: 5-phenyl-3-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylate Traditional Name: 5-phenyl-3-(pyrrolidine-1-carbothioylamino)thiophene-2-carboxylic acid ethyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=S)N3CCCC3

InChI

InChI=1S/C18H20N2O2S2/c1-2-22-17(21)16-14(19-18(23)20-10-6-7-11-20)12-15(24-16)13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,19,23)