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

Systemtic Name: ethyl 2-[(4-methoxycarbonylphenyl)carbonylcarbamothioylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylamino]-4-methyl-5-propanoyloxy-thiophene-3-carboxylate CAS Name: 2-[[[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(1-oxopropoxy)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylamino]-4-methyl-5-propanoyloxythiophene-3-carboxylate Traditional Name: 2-[(4-carbomethoxybenzoyl)thiocarbamoylamino]-4-methyl-5-propionyloxy-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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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(=O)OC)C(=O)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S2/c1-5-14(24)30-20-11(3)15(19(27)29-6-2)17(32-20)23-21(31)22-16(25)12-7-9-13(10-8-12)18(26)28-4/h7-10H,5-6H2,1-4H3,(H2,22,23,25,31)