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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17NO4S/c1-13-6-7-15-14(11-21(24)26-17(15)10-13)12-25-20(23)9-8-19-22-16-4-2-3-5-18(16)27-19/h2-7,10-11H,8-9,12H2,1H3