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

Systemtic Name: ethyl 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(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=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

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

InChI

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