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

Systemtic Name: ethyl 2-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[[1-(2-ethoxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-ethoxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[1-(2-ethoxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-4-27-19(24)14-23-18-9-7-6-8-15(18)10-11-16(20(23)25)22-17(12-13-29-3)21(26)28-5-2/h6-9,16-17,22H,4-5,10-14H2,1-3H3