ethyl 4-(furan-2-yl)-2-(2-piperidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(furan-2-yl)-2-(2-piperidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-furyl)-2-[[2-(piperidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-furanyl)-2-[[1-oxo-2-[[1-piperidinyl(sulfanylidene)methyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-yl)-2-[[2-(piperidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-furyl)-2-[[2-(piperidine-1-carbothioylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC(=S)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)CSC(=S)N3CCCCC3

InChI

InChI=1S/C19H22N2O4S3/c1-2-24-18(23)16-13(14-7-6-10-25-14)11-27-17(16)20-15(22)12-28-19(26)21-8-4-3-5-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,20,22)