ethyl 2-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=CN(C2=CC=CC=C21)CC(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O4S/c1-2-29-22(28)13-23-20(26)16-30-19-14-25(18-10-6-5-9-17(18)19)15-21(27)24-11-7-3-4-8-12-24/h5-6,9-10,14H,2-4,7-8,11-13,15-16H2,1H3,(H,23,26)