3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[4-(2,5-dimethylphenyl)-5-ethyl-2-thiazolyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-nitro-coumarin Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=C(N=C(S1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H18N2O4S/c1-4-19-20(16-9-12(2)5-6-13(16)3)23-21(29-19)17-11-14-10-15(24(26)27)7-8-18(14)28-22(17)25/h5-11H,4H2,1-3H3