dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-oxohexylhydrazo)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(hexanoylamino)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(caproylamino)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S2/c1-5-6-7-8-10(20)18-19-16(25)17-13-11(14(21)23-3)9(2)12(26-13)15(22)24-4/h5-8H2,1-4H3,(H,18,20)(H2,17,19,25)