2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(C)C

InChI

InChI=1S/C21H19NO5S/c1-12(2)16-10-17-14(9-20(23)27-18(17)8-13(16)3)11-22-21(24)15-6-4-5-7-19(15)28(22,25)26/h4-10,12H,11H2,1-3H3