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

Systemtic Name: ethyl 5-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C17H17N5O3S2/c1-2-25-16(24)14-8-10-7-11(3-6-13(10)27-14)18-15(23)9-26-17-19-20-21-22(17)12-4-5-12/h3,6-8,12H,2,4-5,9H2,1H3,(H,18,23)