sodium 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: sodium 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: sodium 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-thiazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: sodium 2-[[4-[4-[(4-ethylanilino)-oxomethyl]-5-phenyl-2-thiazolyl]phenyl]thio]-2-methylpropanoate IUPAC Name: sodium 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: sodium 2-[[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-thiazol-2-yl]phenyl]thio]-2-methyl-propionate Formula: C28H25N2NaO3S2 MolecularWeight: 524.62947

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(SC(=N2)C3=CC=C(C=C3)SC(C)(C)C(=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(SC(=N2)C3=CC=C(C=C3)SC(C)(C)C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C28H26N2O3S2.Na/c1-4-18-10-14-21(15-11-18)29-25(31)23-24(19-8-6-5-7-9-19)34-26(30-23)20-12-16-22(17-13-20)35-28(2,3)27(32)33;/h5-17H,4H2,1-3H3,(H,29,31)(H,32,33);/q;+1/p-1