ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxyphenyl)carbonyloxy-8-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxyphenyl)carbonyloxy-8-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxybenzoyl)oxy-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-[(3,4-dimethoxyphenyl)-oxomethoxy]-8-methyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxybenzoyl)oxy-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-7-veratroyloxy-chromene-2-carboxylic acid ethyl ester Formula: C29H23NO8S MolecularWeight: 545.55982

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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)C3=CC(=C(C=C3)OC)OC)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H23NO8S/c1-5-36-29(33)26-23(27-30-18-8-6-7-9-22(18)39-27)24(31)17-11-13-19(15(2)25(17)38-26)37-28(32)16-10-12-20(34-3)21(14-16)35-4/h6-14H,5H2,1-4H3