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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClNO4S/c1-12-8-17-14(10-15(12)22)13(9-21(25)27-17)11-26-20(24)7-6-19-23-16-4-2-3-5-18(16)28-19/h2-5,8-10H,6-7,11H2,1H3