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

Systemtic Name: ethyl 2-[ethanoyl-[3-(methylamino)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-[acetyl-[3-(methylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[acetyl-[3-(methylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-[acetyl-[3-(methylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[acetyl-[2-keto-3-(methylamino)-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-(methylthio)butyric acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)N(C(=O)C)N1C2=CC=CC=C2CCC(C1=O)NC

Isomeric SMILES

CCOC(=O)C(CCSC)N(C(=O)C)N1C2=CC=CC=C2CCC(C1=O)NC

InChI

InChI=1S/C20H29N3O4S/c1-5-27-20(26)18(12-13-28-4)22(14(2)24)23-17-9-7-6-8-15(17)10-11-16(21-3)19(23)25/h6-9,16,18,21H,5,10-13H2,1-4H3