1-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one Openeye Name: 1-(4-chloro-2-fluoro-5-methoxy-phenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one CAS Name: 1-(4-chloro-2-fluoro-5-methoxyphenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one IUPAC Name: 1-(4-chloro-2-fluoro-5-methoxyphenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one Traditional Name: 1-(4-chloro-2-fluoro-5-methoxy-phenyl)imino-5,6,8,9-tetrahydro-[1,3,4]thiadiazolo[3,4-d][1,4,5]oxadiazepin-3-one Formula: C13H13ClFN3O3S MolecularWeight: 345.777023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N=C2N3CCOCCN3C(=O)S2)F)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N=C2N3CCOCCN3C(=O)S2)F)Cl

InChI

InChI=1S/C13H13ClFN3O3S/c1-20-11-7-10(9(15)6-8(11)14)16-12-17-2-4-21-5-3-18(17)13(19)22-12/h6-7H,2-5H2,1H3