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

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-4-methyl-2-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C19H21N5O3S2/c1-4-14-12(3)16(18(26)27-5-2)17(29-14)20-15(25)11-28-19-21-22-23-24(19)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,20,25)