2-[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[methyl(p-anisyl)amino]ethyl]thio]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-19(11-13-7-9-14(23-2)10-8-13)17(20)12-24-16-6-4-3-5-15(16)18(21)22/h3-10H,11-12H2,1-2H3,(H,21,22)