ethyl 4-methyl-5-(methylcarbamoyl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H23N3O4S3 MolecularWeight: 429.57722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H23N3O4S3/c1-4-24-16(23)12-10(2)13(14(22)18-3)27-15(12)19-11(21)9-26-17(25)20-7-5-6-8-20/h4-9H2,1-3H3,(H,18,22)(H,19,21)