dimethyl 5-(heptan-2-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(heptan-2-ylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(1-methylhexylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 5-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(heptan-2-ylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-methylhexylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

InChI

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