ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(1-oxopropoxy)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-5-propanoyloxythiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-methyl-5-propionyloxy-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCC(=O)OC1=C(C(=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C23H28N2O5S2/c1-7-16(26)30-21-13(3)17(20(28)29-8-2)19(32-21)25-22(31)24-18(27)14-9-11-15(12-10-14)23(4,5)6/h9-12H,7-8H2,1-6H3,(H2,24,25,27,31)