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

Systemtic Name: ethyl 4-[2-(1-ethylindol-3-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-ethyl-3-indolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-ethylindol-3-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-ethylindol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O3S/c1-3-23-13-19(17-7-5-6-8-18(17)23)27-14-20(24)22-16-11-9-15(10-12-16)21(25)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,22,24)