[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-chloranylbutanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-chloranylbutanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-chromen-7-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C21H16ClNO4S MolecularWeight: 413.87404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3

InChI

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