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

Systemtic Name: dimethyl 5-(heptylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(heptylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(heptylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(heptylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(heptylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H26N2O4S2 MolecularWeight: 386.52934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C17H26N2O4S2/c1-5-6-7-8-9-10-18-17(24)19-14-12(15(20)22-3)11(2)13(25-14)16(21)23-4/h5-10H2,1-4H3,(H2,18,19,24)