ethyl 4-[2-(1-propylindol-3-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-propylindol-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-propylindol-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-propyl-3-indolyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-propylindol-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-propylindol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H24N2O3S/c1-3-13-24-14-20(18-7-5-6-8-19(18)24)28-15-21(25)23-17-11-9-16(10-12-17)22(26)27-4-2/h5-12,14H,3-4,13,15H2,1-2H3,(H,23,25)