4-[[6-methoxy-5-methyl-2-(2H-1,2,3,4-tetrazol-5-ylcarbamoyl)-1-benzothiophen-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[6-methoxy-5-methyl-2-(2H-1,2,3,4-tetrazol-5-ylcarbamoyl)-1-benzothiophen-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[6-methoxy-5-methyl-2-(2H-tetrazol-5-ylcarbamoyl)benzothiophen-3-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[6-methoxy-5-methyl-2-[oxo-(2H-tetrazol-5-ylamino)methyl]-1-benzothiophen-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[6-methoxy-5-methyl-2-(2H-tetrazol-5-ylcarbamoyl)-1-benzothiophen-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[6-methoxy-5-methyl-2-(2H-tetrazol-5-ylcarbamoyl)benzothiophen-3-yl]thio]methyl]benzoic acid Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(S2)C(=O)NC3=NNN=N3)SCC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(S2)C(=O)NC3=NNN=N3)SCC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C20H17N5O4S2/c1-10-7-13-15(8-14(10)29-2)31-17(18(26)21-20-22-24-25-23-20)16(13)30-9-11-3-5-12(6-4-11)19(27)28/h3-8H,9H2,1-2H3,(H,27,28)(H2,21,22,23,24,25,26)