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

Systemtic Name: dimethyl 5-[(4-bromanyl-3-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(4-bromo-3-methyl-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-3-methylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-bromo-3-methylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-3-methyl-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17BrN2O4S2 MolecularWeight: 457.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)Br

InChI

InChI=1S/C17H17BrN2O4S2/c1-8-7-10(5-6-11(8)18)19-17(25)20-14-12(15(21)23-3)9(2)13(26-14)16(22)24-4/h5-7H,1-4H3,(H2,19,20,25)