methyl 5-bromanyl-4-phenyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-4-phenyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-bromo-4-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-bromo-2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-4-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-bromo-4-phenyl-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H16BrN5O3S2 MolecularWeight: 530.41744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN5O3S2/c1-30-20(29)17-16(13-8-4-2-5-9-13)18(22)32-19(17)23-15(28)12-31-21-24-25-26-27(21)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,23,28)