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

Systemtic Name: 2-methylpropyl 2-[ethanoyl-[3-(methylamino)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]amino]-4-methylsulfanyl-butanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4S/c1-15(2)14-29-22(28)20(12-13-30-5)24(16(3)26)25-19-9-7-6-8-17(19)10-11-18(23-4)21(25)27/h6-9,15,18,20,23H,10-14H2,1-5H3