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

Systemtic Name: diethyl 3-methyl-5-(pentan-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1-ethylpropylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(pentan-3-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(1-ethylpropylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(CC)NC(=S)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C17H26N2O4S2/c1-6-11(7-2)18-17(24)19-14-12(15(20)22-8-3)10(5)13(25-14)16(21)23-9-4/h11H,6-9H2,1-5H3,(H2,18,19,24)