sodium 2-[2-azanyl-5-methyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate

Systemtic Name: sodium 2-[2-azanyl-5-methyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate Openeye Name: sodium 2-[2-amino-5-methyl-3-(4-methylsulfanylbenzoyl)phenyl]acetate CAS Name: sodium 2-[2-amino-5-methyl-3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetate IUPAC Name: sodium 2-[2-amino-5-methyl-3-(4-methylsulfanylbenzoyl)phenyl]acetate Traditional Name: sodium 2-[2-amino-5-methyl-3-[4-(methylthio)benzoyl]phenyl]acetate Formula: C17H16NNaO3S MolecularWeight: 337.36861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)SC)N)CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)SC)N)CC(=O)[O-].[Na+]

InChI

InChI=1S/C17H17NO3S.Na/c1-10-7-12(9-15(19)20)16(18)14(8-10)17(21)11-3-5-13(22-2)6-4-11;/h3-8H,9,18H2,1-2H3,(H,19,20);/q;+1/p-1