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

Systemtic Name: ethyl 5-(phenylmethyl)-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC3

InChI

InChI=1S/C19H22N2O2S2/c1-2-23-18(22)16-13-15(12-14-8-4-3-5-9-14)25-17(16)20-19(24)21-10-6-7-11-21/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,20,24)