(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H18ClNO4S/c1-13-9-18-15(11-16(13)23)14(10-22(26)28-18)12-27-21(25)8-4-7-20-24-17-5-2-3-6-19(17)29-20/h2-3,5-6,9-11H,4,7-8,12H2,1H3