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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)OC(=O)CCCCl)OC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)OC(=O)CCCCl)OC3=O

InChI

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