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

Systemtic Name: ethyl 2-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-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:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3S2/c1-4-27-18(26)14-10-15(12(2)3)29-17(14)20-16(25)11-28-19-21-22-23-24(19)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,20,25)