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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 4-chloranylbutanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-chromen-7-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 4-chlorobutanoate Traditional Name: 4-chlorobutyric acid [3-(1,3-benzothiazol-2-yl)-4-keto-chromen-7-yl] ester Formula: C20H14ClNO4S MolecularWeight: 399.84746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)CCCCl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)CCCCl

InChI

InChI=1S/C20H14ClNO4S/c21-9-3-6-18(23)26-12-7-8-13-16(10-12)25-11-14(19(13)24)20-22-15-4-1-2-5-17(15)27-20/h1-2,4-5,7-8,10-11H,3,6,9H2