methyl 2-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H22N2O4S/c1-13(19(24)23-18-6-4-3-5-17(18)21(26)27-2)28-16-11-9-15(10-12-16)22-20(25)14-7-8-14/h3-6,9-14H,7-8H2,1-2H3,(H,22,25)(H,23,24)