4-[[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(2-naphthylamino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(2-naphthalenylamino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-(2-naphthylamino)ethyl]thio]methyl]benzoic acid Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H17NO3S/c22-19(13-25-12-14-5-7-16(8-6-14)20(23)24)21-18-10-9-15-3-1-2-4-17(15)11-18/h1-11H,12-13H2,(H,21,22)(H,23,24)