ethyl 3-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenethylsulfanyl-butanoate

Systemtic Name: ethyl 3-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenethylsulfanyl-butanoate Openeye Name: ethyl 3-[[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenethylsulfanyl-butanoate CAS Name: 3-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(phenethylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenethylsulfanylbutanoate Traditional Name: 3-[[1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(phenethylthio)butyric acid ethyl ester Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSCCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CC(CSCCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)OCC

InChI

InChI=1S/C28H36N2O5S/c1-3-34-26(31)18-23(20-36-17-16-21-10-6-5-7-11-21)29-24-15-14-22-12-8-9-13-25(22)30(28(24)33)19-27(32)35-4-2/h5-13,23-24,29H,3-4,14-20H2,1-2H3