ethyl 2-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-[2-oxo-2-(1-piperidyl)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-3-indolyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(2-keto-2-piperidino-ethyl)indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

InChI

InChI=1S/C26H29N3O4S/c1-2-33-26(32)19-10-4-6-12-21(19)27-24(30)18-34-23-16-29(22-13-7-5-11-20(22)23)17-25(31)28-14-8-3-9-15-28/h4-7,10-13,16H,2-3,8-9,14-15,17-18H2,1H3,(H,27,30)