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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-22-17(21)15-12-14(11-13-7-3-2-4-8-13)24-16(15)19-18(23)20-9-5-6-10-20/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,19,23)