[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 2-chloranylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] 2-chloranylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-chromen-7-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C25H16ClNO4S MolecularWeight: 461.91684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H16ClNO4S/c1-2-14-11-16-21(12-20(14)31-25(29)15-7-3-4-8-18(15)26)30-13-17(23(16)28)24-27-19-9-5-6-10-22(19)32-24/h3-13H,2H2,1H3