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

Systemtic Name: ethyl 2-[2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-2-34-27(33)20-11-5-7-13-22(20)28-25(31)19-35-24-17-30(23-14-8-6-12-21(23)24)18-26(32)29-15-9-3-4-10-16-29/h5-8,11-14,17H,2-4,9-10,15-16,18-19H2,1H3,(H,28,31)