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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

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