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

Systemtic Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-thiazol-2-yl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[4-[(4-ethylanilino)-oxomethyl]-5-phenyl-2-thiazolyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-1,3-thiazol-2-yl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[4-[(4-ethylphenyl)carbamoyl]-5-phenyl-thiazol-2-yl]phenyl]thio]-2-methyl-propionic acid Formula: C28H26N2O3S2 MolecularWeight: 502.64764

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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

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

InChI

InChI=1S/C28H26N2O3S2/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)