[2-methoxy-6-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate

Systemtic Name: [2-methoxy-6-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate Openeye Name: [2-methoxy-6-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate CAS Name: propanoic acid [2-methoxy-6-[3-(methylthio)-7-(1-oxopropyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] ester IUPAC Name: [2-methoxy-6-(3-methylsulfanyl-7-propanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenyl] propanoate Traditional Name: propionic acid [2-methoxy-6-[3-(methylthio)-7-propionyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl] ester Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC=C4)OC)OC(=O)CC

Isomeric SMILES

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC=C4)OC)OC(=O)CC

InChI

InChI=1S/C24H24N4O5S/c1-5-18(29)28-16-12-8-7-10-14(16)20-22(25-24(34-4)27-26-20)33-23(28)15-11-9-13-17(31-3)21(15)32-19(30)6-2/h7-13,23H,5-6H2,1-4H3