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

Systemtic Name: ethyl 3-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C19H19N5O3S2/c1-2-27-18(26)17-14(10-15(29-17)12-6-4-3-5-7-12)20-16(25)11-28-19-21-22-23-24(19)13-8-9-13/h3-7,10,13H,2,8-9,11H2,1H3,(H,20,25)