sodium 2-azanyl-2-[3-(4-methylphenyl)carbothioylphenyl]ethanoic acid

Systemtic Name: sodium 2-azanyl-2-[3-(4-methylphenyl)carbothioylphenyl]ethanoic acid Openeye Name: sodium 2-amino-2-[3-(4-methylbenzenecarbothioyl)phenyl]acetic acid CAS Name: sodium 2-amino-2-[3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: sodium 2-amino-2-[3-(4-methylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: sodium 2-amino-2-[3-(4-methylthiobenzoyl)phenyl]acetic acid Formula: C16H15NNaO2S+ MolecularWeight: 308.35057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S.Na/c1-10-5-7-11(8-6-10)15(20)13-4-2-3-12(9-13)14(17)16(18)19;/h2-9,14H,17H2,1H3,(H,18,19);/q;+1