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

Systemtic Name: sodium 2-[2-azanyl-5-chloranyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoate Openeye Name: sodium 2-[2-amino-5-chloro-3-(4-methylsulfanylbenzoyl)phenyl]acetate CAS Name: sodium 2-[2-amino-5-chloro-3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetate IUPAC Name: sodium 2-[2-amino-5-chloro-3-(4-methylsulfanylbenzoyl)phenyl]acetate Traditional Name: sodium 2-[2-amino-5-chloro-3-[4-(methylthio)benzoyl]phenyl]acetate Formula: C16H13ClNNaO3S MolecularWeight: 357.78709

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)[O-])Cl.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2N)CC(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H14ClNO3S.Na/c1-22-12-4-2-9(3-5-12)16(21)13-8-11(17)6-10(15(13)18)7-14(19)20;/h2-6,8H,7,18H2,1H3,(H,19,20);/q;+1/p-1