(4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4,8-dimethyl-2-oxidanylidene-chromen-7-yl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4,8-dimethyl-2-oxo-chromen-7-yl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4,8-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4,8-dimethyl-2-oxochromen-7-yl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-4,8-dimethyl-chromen-7-yl) ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO4S/c1-12-11-20(24)26-21-13(2)16(8-7-14(12)21)25-19(23)10-9-18-22-15-5-3-4-6-17(15)27-18/h3-8,11H,9-10H2,1-2H3