diethyl 3-methyl-5-(3-methylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(3-methylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(isopentylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-methylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isoamylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC(C)C

InChI

InChI=1S/C17H26N2O4S2/c1-6-22-15(20)12-11(5)13(16(21)23-7-2)25-14(12)19-17(24)18-9-8-10(3)4/h10H,6-9H2,1-5H3,(H2,18,19,24)