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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H21NO4S/c1-14-10-11-17-16(12-22(26)28-23(17)15(14)2)13-27-21(25)9-5-8-20-24-18-6-3-4-7-19(18)29-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3