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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxyphenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxybenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-[(3,4-dimethoxyphenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3,4-dimethoxybenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-7-veratroyloxy-chromene-2-carboxylic acid ethyl ester Formula: C28H21NO8S MolecularWeight: 531.53324

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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)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)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21NO8S/c1-4-35-28(32)25-23(26-29-18-7-5-6-8-22(18)38-26)24(30)17-11-10-16(14-20(17)37-25)36-27(31)15-9-12-19(33-2)21(13-15)34-3/h5-14H,4H2,1-3H3