methyl 4-ethyl-5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1,5-dimethylhexylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H30N2O2S2 MolecularWeight: 370.573

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCCC(C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCCC(C)C)C

InChI

InChI=1S/C18H30N2O2S2/c1-7-14-13(5)24-16(15(14)17(21)22-6)20-18(23)19-12(4)10-8-9-11(2)3/h11-12H,7-10H2,1-6H3,(H2,19,20,23)