ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O4S2 MolecularWeight: 538.72126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C29H34N2O4S2/c1-6-34-27(33)25-24(20-11-8-7-9-12-20)19(2)37-26(25)31-28(36)30-23(32)13-10-18-35-22-16-14-21(15-17-22)29(3,4)5/h7-9,11-12,14-17H,6,10,13,18H2,1-5H3,(H2,30,31,32,36)