5-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[methanoyl(oxidanyl)amino]ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-(benzothiophen-5-ylmethylsulfonyl)-1-[formyl(hydroxy)amino]ethyl]-2-thenoic acid Formula: C17H15NO6S3 MolecularWeight: 425.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CS2)C=C1CS(=O)(=O)CC(C3=CC=C(S3)C(=O)O)N(C=O)O

Isomeric SMILES

C1=CC2=C(C=CS2)C=C1CS(=O)(=O)CC(C3=CC=C(S3)C(=O)O)N(C=O)O

InChI

InChI=1S/C17H15NO6S3/c19-10-18(22)13(15-3-4-16(26-15)17(20)21)9-27(23,24)8-11-1-2-14-12(7-11)5-6-25-14/h1-7,10,13,22H,8-9H2,(H,20,21)