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

Systemtic Name: ethyl 5-bromanyl-2-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H16BrN5O3S2 MolecularWeight: 482.37464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CSC3=NN=NN3C

InChI

InChI=1S/C17H16BrN5O3S2/c1-3-26-16(25)13-12(10-7-5-4-6-8-10)14(18)28-15(13)19-11(24)9-27-17-20-21-22-23(17)2/h4-8H,3,9H2,1-2H3,(H,19,24)