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

Systemtic Name: 4-[[5-methoxy-6-methyl-2-(2H-1,2,3,4-tetrazol-5-ylcarbamoyl)-1-benzothiophen-3-yl]sulfanyl]benzoic acid Openeye Name: 4-[5-methoxy-6-methyl-2-(2H-tetrazol-5-ylcarbamoyl)benzothiophen-3-yl]sulfanylbenzoic acid CAS Name: 4-[[5-methoxy-6-methyl-2-[oxo-(2H-tetrazol-5-ylamino)methyl]-1-benzothiophen-3-yl]thio]benzoic acid IUPAC Name: 4-[[5-methoxy-6-methyl-2-(2H-tetrazol-5-ylcarbamoyl)-1-benzothiophen-3-yl]sulfanyl]benzoic acid Traditional Name: 4-[[5-methoxy-6-methyl-2-(2H-tetrazol-5-ylcarbamoyl)benzothiophen-3-yl]thio]benzoic acid Formula: C19H15N5O4S2 MolecularWeight: 441.4835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)SC(=C2SC3=CC=C(C=C3)C(=O)O)C(=O)NC4=NNN=N4)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)SC(=C2SC3=CC=C(C=C3)C(=O)O)C(=O)NC4=NNN=N4)OC

InChI

InChI=1S/C19H15N5O4S2/c1-9-7-14-12(8-13(9)28-2)15(29-11-5-3-10(4-6-11)18(26)27)16(30-14)17(25)20-19-21-23-24-22-19/h3-8H,1-2H3,(H,26,27)(H2,20,21,22,23,24,25)