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

Systemtic Name: dimethyl 5-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H19BrN2O4S2 MolecularWeight: 471.38846

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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)OC)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O4S2/c1-5-10-8-11(19)6-7-12(10)20-18(26)21-15-13(16(22)24-3)9(2)14(27-15)17(23)25-4/h6-8H,5H2,1-4H3,(H2,20,21,26)