3-(2,1,3-benzothiadiazol-5-yl)-4-(cyclohexylmethyl)-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one; cyclohexanecarbaldehyde

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-(cyclohexylmethyl)-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one; cyclohexanecarbaldehyde Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-(cyclohexylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one; cyclohexanecarbaldehyde CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-(cyclohexylmethyl)-5-hydroxy-5-(4-methoxyphenyl)-2-furanone; cyclohexanecarboxaldehyde IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-(cyclohexylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one; cyclohexanecarbaldehyde Traditional Name: cyclohexanecarbaldehyde; 4-(cyclohexylmethyl)-5-hydroxy-5-(4-methoxyphenyl)-3-piazthiol-5-yl-furan-2-one Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5CCCCC5)O.C1CCC(CC1)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5CCCCC5)O.C1CCC(CC1)C=O

InChI

InChI=1S/C24H24N2O4S.C7H12O/c1-29-18-10-8-17(9-11-18)24(28)19(13-15-5-3-2-4-6-15)22(23(27)30-24)16-7-12-20-21(14-16)26-31-25-20;8-6-7-4-2-1-3-5-7/h7-12,14-15,28H,2-6,13H2,1H3;6-7H,1-5H2