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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S2/c1-5-10-13(3)21-20(25)22-18-17(19(23)24-6-2)16(14(4)26-18)15-11-8-7-9-12-15/h7-9,11-13H,5-6,10H2,1-4H3,(H2,21,22,25)