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

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

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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=C5C

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=C5C

InChI

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