methyl 2-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CC4

InChI

InChI=1S/C26H24N2O4S/c1-32-26(31)21-12-5-6-13-22(21)28-25(30)23(17-8-3-2-4-9-17)33-20-11-7-10-19(16-20)27-24(29)18-14-15-18/h2-13,16,18,23H,14-15H2,1H3,(H,27,29)(H,28,30)