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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H17NO4S2/c1-12-7-8-15-14(9-18(23)26-20(15)13(12)2)10-25-19(24)11-27-21-22-16-5-3-4-6-17(16)28-21/h3-9H,10-11H2,1-2H3