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

Systemtic Name: methyl 2-[ethanoyl-[3-(methylamino)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4S/c1-13(23)21(17(11-12-27-4)19(25)26-3)22-16-8-6-5-7-14(16)9-10-15(20-2)18(22)24/h5-8,15,17,20H,9-12H2,1-4H3