4-[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-[1-(2-thienyl)ethylamino]ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-[1-(2-thienyl)ethylamino]ethyl]thio]benzoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15NO3S2/c1-10(13-3-2-8-20-13)16-14(17)9-21-12-6-4-11(5-7-12)15(18)19/h2-8,10H,9H2,1H3,(H,16,17)(H,18,19)