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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-methylphenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-methylbenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-[(4-methylphenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-methylbenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-7-p-toluoyloxy-chromene-2-carboxylic acid ethyl ester Formula: C29H23NO6S MolecularWeight: 513.56102

Click to see the large picture

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=C(C=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C29H23NO6S/c1-4-17-14-19-22(15-21(17)36-28(32)18-12-10-16(3)11-13-18)35-26(29(33)34-5-2)24(25(19)31)27-30-20-8-6-7-9-23(20)37-27/h6-15H,4-5H2,1-3H3