ethyl 4-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(26)15-5-7-16(8-6-15)22-19(24)13-28-18-11-9-17(10-12-18)23-20(25)14-3-4-14/h5-12,14H,2-4,13H2,1H3,(H,22,24)(H,23,25)