4-[[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[(6-methoxy-2-naphthalenyl)methyl-methylamino]-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]ethyl]thio]methyl]benzoic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)CSCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)CSCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H23NO4S/c1-24(13-17-5-8-20-12-21(28-2)10-9-19(20)11-17)22(25)15-29-14-16-3-6-18(7-4-16)23(26)27/h3-12H,13-15H2,1-2H3,(H,26,27)