diethyl 5-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-bromo-2-ethyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-ethylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-bromo-2-ethylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-2-ethyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23BrN2O4S2 MolecularWeight: 499.44162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C20H23BrN2O4S2/c1-5-12-10-13(21)8-9-14(12)22-20(28)23-17-15(18(24)26-6-2)11(4)16(29-17)19(25)27-7-3/h8-10H,5-7H2,1-4H3,(H2,22,23,28)