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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-nitrophenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-nitrobenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-[(4-nitrophenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-(4-nitrobenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-7-(4-nitrobenzoyl)oxy-chromene-2-carboxylic acid ethyl ester Formula: C28H20N2O8S MolecularWeight: 544.532

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C28H20N2O8S/c1-3-15-13-18-21(14-20(15)38-27(32)16-9-11-17(12-10-16)30(34)35)37-25(28(33)36-4-2)23(24(18)31)26-29-19-7-5-6-8-22(19)39-26/h5-14H,3-4H2,1-2H3