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

Systemtic Name: methyl 4-phenyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S2/c1-29-20(28)18-16(14-8-4-2-5-9-14)12-30-19(18)22-17(27)13-31-21-23-24-25-26(21)15-10-6-3-7-11-15/h2-12H,13H2,1H3,(H,22,27)