4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(2-thenylamino)ethyl]thio]benzoic acid Formula: C14H13NO3S2 MolecularWeight: 307.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13NO3S2/c16-13(15-8-12-2-1-7-19-12)9-20-11-5-3-10(4-6-11)14(17)18/h1-7H,8-9H2,(H,15,16)(H,17,18)