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

Systemtic Name: methyl 5-phenyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S2/c1-21-16(20)13-11-14(12-7-3-2-4-8-12)23-15(13)18-17(22)19-9-5-6-10-19/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,18,22)