ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-7-(phenylcarbonyloxy)chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-7-(phenylcarbonyloxy)chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-benzoyloxy-6-ethyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-benzoyloxy-6-ethyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-benzoyloxy-6-ethyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-benzoyloxy-6-ethyl-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C28H21NO6S MolecularWeight: 499.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21NO6S/c1-3-16-14-18-21(15-20(16)35-27(31)17-10-6-5-7-11-17)34-25(28(32)33-4-2)23(24(18)30)26-29-19-12-8-9-13-22(19)36-26/h5-15H,3-4H2,1-2H3