sodium 2-azanyl-2-[4-methyl-3-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid

Systemtic Name: sodium 2-azanyl-2-[4-methyl-3-(4-methylphenyl)carbothioyl-phenyl]ethanoic acid Openeye Name: sodium 2-amino-2-[4-methyl-3-(4-methylbenzenecarbothioyl)phenyl]acetic acid CAS Name: sodium 2-amino-2-[4-methyl-3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: sodium 2-amino-2-[4-methyl-3-(4-methylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: sodium 2-amino-2-[4-methyl-3-(4-methylthiobenzoyl)phenyl]acetic acid Formula: C17H17NNaO2S+ MolecularWeight: 322.37715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S.Na/c1-10-3-6-12(7-4-10)16(21)14-9-13(8-5-11(14)2)15(18)17(19)20;/h3-9,15H,18H2,1-2H3,(H,19,20);/q;+1