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

Systemtic Name: dimethyl 3-methyl-5-(3-methylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(isopentylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(3-methylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 5-(isoamylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H22N2O4S2 MolecularWeight: 358.47618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCC(C)C)C(=O)OC

InChI

InChI=1S/C15H22N2O4S2/c1-8(2)6-7-16-15(22)17-12-10(13(18)20-4)9(3)11(23-12)14(19)21-5/h8H,6-7H2,1-5H3,(H2,16,17,22)