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

Systemtic Name: sodium 2-azanyl-2-[3-(4-ethylphenyl)carbothioylphenyl]ethanoic acid Openeye Name: sodium 2-amino-2-[3-(4-ethylbenzenecarbothioyl)phenyl]acetic acid CAS Name: sodium 2-amino-2-[3-[(4-ethylphenyl)-sulfanylidenemethyl]phenyl]acetic acid IUPAC Name: sodium 2-amino-2-[3-(4-ethylbenzenecarbothioyl)phenyl]acetic acid Traditional Name: sodium 2-amino-2-[3-(4-ethylthiobenzoyl)phenyl]acetic acid Formula: C17H17NNaO2S+ MolecularWeight: 322.37715

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C(=O)O)N.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C(=O)O)N.[Na+]

InChI

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