ethyl 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CC3

InChI

InChI=1S/C22H24N2O4S/c1-3-28-22(27)16-9-11-17(12-10-16)23-20(25)14(2)29-19-6-4-5-18(13-19)24-21(26)15-7-8-15/h4-6,9-15H,3,7-8H2,1-2H3,(H,23,25)(H,24,26)