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

Systemtic Name: methyl 3-phenyl-2-[[4-(quinolin-2-ylsulfanylmethyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[4-(2-quinolylsulfanylmethyl)benzoyl]amino]propanoate CAS Name: 2-[[oxo-[4-[(2-quinolinylthio)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[4-(quinolin-2-ylsulfanylmethyl)benzoyl]amino]propanoate Traditional Name: 3-phenyl-2-[[4-[(2-quinolylthio)methyl]benzoyl]amino]propionic acid methyl ester Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O3S/c1-32-27(31)24(17-19-7-3-2-4-8-19)29-26(30)22-13-11-20(12-14-22)18-33-25-16-15-21-9-5-6-10-23(21)28-25/h2-16,24H,17-18H2,1H3,(H,29,30)