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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)COCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)COCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H19NO5S/c1-13-7-16-15(9-21(24)28-18(16)8-14(13)2)10-27-22(25)12-26-11-20-23-17-5-3-4-6-19(17)29-20/h3-9H,10-12H2,1-2H3