[4-[(2R)-2-acetamido-3-oxidanylidene-butyl]phenyl] 2-(1,5-diphenylimidazol-2-yl)sulfanylethanoate

Systemtic Name: [4-[(2R)-2-acetamido-3-oxidanylidene-butyl]phenyl] 2-(1,5-diphenylimidazol-2-yl)sulfanylethanoate Openeye Name: [4-[(2R)-2-acetamido-3-oxo-butyl]phenyl] 2-(1,5-diphenylimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1,5-diphenyl-2-imidazolyl)thio]acetic acid [4-[(2R)-2-acetamido-3-oxobutyl]phenyl] ester IUPAC Name: [4-[(2R)-2-acetamido-3-oxobutyl]phenyl] 2-(1,5-diphenylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1,5-diphenylimidazol-2-yl)thio]acetic acid [4-[(2R)-2-acetamido-3-keto-butyl]phenyl] ester Formula: C29H27N3O4S MolecularWeight: 513.60738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)OC(=O)CSC2=NC=C(N2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC(=O)[C@@H](CC1=CC=C(C=C1)OC(=O)CSC2=NC=C(N2C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C29H27N3O4S/c1-20(33)26(31-21(2)34)17-22-13-15-25(16-14-22)36-28(35)19-37-29-30-18-27(23-9-5-3-6-10-23)32(29)24-11-7-4-8-12-24/h3-16,18,26H,17,19H2,1-2H3,(H,31,34)/t26-/m1/s1