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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chlorophenyl)carbonyloxy-6-ethyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobenzoyl)oxy-6-ethyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-[(4-chlorophenyl)-oxomethoxy]-6-ethyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobenzoyl)oxy-6-ethyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(4-chlorobenzoyl)oxy-6-ethyl-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C28H20ClNO6S MolecularWeight: 533.9795

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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=C(C=C5)Cl

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)Cl

InChI

InChI=1S/C28H20ClNO6S/c1-3-15-13-18-21(14-20(15)36-27(32)16-9-11-17(29)12-10-16)35-25(28(33)34-4-2)23(24(18)31)26-30-19-7-5-6-8-22(19)37-26/h5-14H,3-4H2,1-2H3