methyl 5-ethyl-2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H20N2O4S2/c1-5-12-9-13(17(22)24-4)15(26-12)20-18(25)19-14-8-11(16(21)23-3)7-6-10(14)2/h6-9H,5H2,1-4H3,(H2,19,20,25)