methyl 3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H14BrN3O3S2 MolecularWeight: 452.34536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O3S2/c1-24-16(23)15-13(6-9-25-15)20-14(22)10-26-17-19-7-8-21(17)12-4-2-11(18)3-5-12/h2-9H,10H2,1H3,(H,20,22)