[5-(3-butylsulfanyl-7-ethanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-phenyl] ethanoate

Systemtic Name: [5-(3-butylsulfanyl-7-ethanoyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-phenyl] ethanoate Openeye Name: [5-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-phenyl] acetate CAS Name: acetic acid [5-[7-acetyl-3-(butylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl] ester IUPAC Name: [5-(7-acetyl-3-butylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxyphenyl] acetate Traditional Name: acetic acid [5-[7-acetyl-3-(butylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxy-phenyl] ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC)OC(=O)C)C(=O)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC)OC(=O)C)C(=O)C)N=N1

InChI

InChI=1S/C25H26N4O5S/c1-5-6-13-35-25-26-23-22(27-28-25)18-9-7-8-10-19(18)29(15(2)30)24(34-23)17-11-12-20(32-4)21(14-17)33-16(3)31/h7-12,14,24H,5-6,13H2,1-4H3