ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chloranylbutanoyloxy)-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chloranylbutanoyloxy)-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobutanoyloxy)-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(4-chloro-1-oxobutoxy)-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobutanoyloxy)-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobutanoyloxy)-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C23H18ClNO6S MolecularWeight: 471.91012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18ClNO6S/c1-2-29-23(28)21-19(22-25-15-6-3-4-7-17(15)32-22)20(27)14-10-9-13(12-16(14)31-21)30-18(26)8-5-11-24/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3