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

Systemtic Name: ethyl 2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylsulfanyl-propanoate Openeye Name: ethyl 2-[[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylsulfanyl-propanoate CAS Name: 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(phenylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-phenylsulfanylpropanoate Traditional Name: 2-[[1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-(phenylthio)propionic acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CSC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)NC(CSC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H30N2O5S/c1-3-31-23(28)16-27-22-13-9-8-10-18(22)14-15-20(24(27)29)26-21(25(30)32-4-2)17-33-19-11-6-5-7-12-19/h5-13,20-21,26H,3-4,14-17H2,1-2H3