ethyl 4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl 4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl 4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: 4-[8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: 4-[2-(5-keto-2H-1,2,4-thiadiazol-3-yl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C33H36N4O6S MolecularWeight: 616.72714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1CC(OC2=C1C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C5=NC(=O)SN5

Isomeric SMILES

CCOC(=O)CCCN1CC(OC2=C1C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C5=NC(=O)SN5

InChI

InChI=1S/C33H36N4O6S/c1-2-41-29(38)15-9-20-37-22-28(31-35-33(40)44-36-31)43-30-26(13-8-14-27(30)37)34-32(39)24-16-18-25(19-17-24)42-21-7-6-12-23-10-4-3-5-11-23/h3-5,8,10-11,13-14,16-19,28H,2,6-7,9,12,15,20-22H2,1H3,(H,34,39)(H,35,36,40)