ethyl 4-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O4S/c1-2-33-27(32)20-13-15-21(16-14-20)28-26(31)24(18-7-4-3-5-8-18)34-23-10-6-9-22(17-23)29-25(30)19-11-12-19/h3-10,13-17,19,24H,2,11-12H2,1H3,(H,28,31)(H,29,30)