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

Systemtic Name: ethyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,1-dimethylpropylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-methylbutan-2-ylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(2-methylbutan-2-ylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(tert-amylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)(C)NC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H26N2O2S2/c1-6-20(4,5)22-19(25)21-17-16(18(23)24-7-2)15(13(3)26-17)14-11-9-8-10-12-14/h8-12H,6-7H2,1-5H3,(H2,21,22,25)