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

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetic acid methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OCC(=O)OC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OCC(=O)OC

InChI

InChI=1S/C22H19NO5S/c1-3-6-13-9-14-18(10-17(13)28-12-20(24)26-2)27-11-15(21(14)25)22-23-16-7-4-5-8-19(16)29-22/h4-5,7-11H,3,6,12H2,1-2H3