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

Systemtic Name: dimethyl 5-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-bromo-2-chloro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromo-2-chlorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14BrClN2O4S2 MolecularWeight: 477.78036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)Br)Cl)C(=O)OC

InChI

InChI=1S/C16H14BrClN2O4S2/c1-7-11(14(21)23-2)13(26-12(7)15(22)24-3)20-16(25)19-10-5-4-8(17)6-9(10)18/h4-6H,1-3H3,(H2,19,20,25)