methyl 2-methyl-3-phenyl-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 2-methyl-3-phenyl-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-3-phenyl-2-[[4-(2-quinolylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: 2-methyl-2-[[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-phenyl-2-[[4-(quinolin-2-ylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: 2-methyl-3-phenyl-2-[[4-[(2-quinolylthio)methyl]benzoyl]amino]propionic acid methyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)OC)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H26N2O3S/c1-28(27(32)33-2,18-20-8-4-3-5-9-20)30-26(31)23-14-12-21(13-15-23)19-34-25-17-16-22-10-6-7-11-24(22)29-25/h3-17H,18-19H2,1-2H3,(H,30,31)