5-(1-benzothiophen-2-ylmethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-(1-benzothiophen-2-ylmethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid Openeye Name: 5-(benzothiophen-2-ylmethylsulfanylmethyl)isoxazole-3-carboxylic acid CAS Name: 5-[(1-benzothiophen-2-ylmethylthio)methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-(1-benzothiophen-2-ylmethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[(benzothiophen-2-ylmethylthio)methyl]isoxazole-3-carboxylic acid Formula: C14H11NO3S2 MolecularWeight: 305.37204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CSCC3=CC(=NO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CSCC3=CC(=NO3)C(=O)O

InChI

InChI=1S/C14H11NO3S2/c16-14(17)12-6-10(18-15-12)7-19-8-11-5-9-3-1-2-4-13(9)20-11/h1-6H,7-8H2,(H,16,17)