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

Systemtic Name: diethyl 5-(butan-2-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(sec-butylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 5-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(butan-2-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(sec-butylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4S2/c1-6-9(4)17-16(23)18-13-11(14(19)21-7-2)10(5)12(24-13)15(20)22-8-3/h9H,6-8H2,1-5H3,(H2,17,18,23)