methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrrolidin-1-ylcarbothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(pyrrolidine-1-carbothioylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCC2)C(=O)OC)C

InChI

InChI=1S/C17H25N3O3S2/c1-5-19(6-2)15(21)13-11(3)12(16(22)23-4)14(25-13)18-17(24)20-9-7-8-10-20/h5-10H2,1-4H3,(H,18,24)