ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxybutanoate

Systemtic Name: ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl]oxybutanoate Openeye Name: ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl]oxybutanoate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxybutanoate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl]oxybutyric acid ethyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(CC)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(CC)C(=O)OCC

InChI

InChI=1S/C25H25NO5S/c1-5-15-12-16-20(13-19(15)31-18(6-2)25(28)29-7-3)30-14(4)22(23(16)27)24-26-17-10-8-9-11-21(17)32-24/h8-13,18H,5-7H2,1-4H3