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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H17NO6S MolecularWeight: 411.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)COCC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)COCC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H17NO6S/c1-12-16(23)7-6-14-13(8-19(24)28-21(12)14)9-27-20(25)11-26-10-18-22-15-4-2-3-5-17(15)29-18/h2-8,23H,9-11H2,1H3