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

Systemtic Name: ethyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,5-dimethylhexylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(6-methylheptan-2-ylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(6-methylheptan-2-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(1,5-dimethylhexylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)CCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)CCCC(C)C

InChI

InChI=1S/C23H32N2O2S2/c1-6-27-22(26)20-19(18-13-8-7-9-14-18)17(5)29-21(20)25-23(28)24-16(4)12-10-11-15(2)3/h7-9,13-16H,6,10-12H2,1-5H3,(H2,24,25,28)