(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H19NO4S/c1-13-9-16-15(11-22(25)27-18(16)10-14(13)2)12-26-21(24)8-7-20-23-17-5-3-4-6-19(17)28-20/h3-6,9-11H,7-8,12H2,1-2H3