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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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-methyl-chromen-4-yl)methyl ester Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO4S2/c1-12-6-7-14-13(9-18(22)25-16(14)8-12)10-24-19(23)11-26-20-21-15-4-2-3-5-17(15)27-20/h2-9H,10-11H2,1H3