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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methoxyphenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methoxybenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-[(2-methoxyphenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(2-methoxybenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-7-o-anisoyloxy-chromene-2-carboxylic acid ethyl ester Formula: C29H23NO7S MolecularWeight: 529.56042

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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=C5OC

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=C5OC

InChI

InChI=1S/C29H23NO7S/c1-4-16-14-18-22(15-21(16)37-28(32)17-10-6-8-12-20(17)34-3)36-26(29(33)35-5-2)24(25(18)31)27-30-19-11-7-9-13-23(19)38-27/h6-15H,4-5H2,1-3H3