6-ethyl-2-methyl-4-oxidanyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 6-ethyl-2-methyl-4-oxidanyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 6-ethyl-4-hydroxy-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 6-ethyl-4-hydroxy-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 6-ethyl-4-hydroxy-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 6-ethyl-4-hydroxy-2-methyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)C)C3=NN=C(S3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)C)C3=NN=C(S3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H20N2O3S/c1-3-12-9-14-16(10-15(12)23)25-11(2)17(18(14)24)20-22-21-19(26-20)13-7-5-4-6-8-13/h4-8,12,16,24H,3,9-10H2,1-2H3