ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(3-nitrophenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(3-nitrophenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(3-nitrobenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-[(3-nitrophenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(3-nitrobenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-7-(3-nitrobenzoyl)oxy-chromene-2-carboxylic acid ethyl ester Formula: C27H18N2O8S MolecularWeight: 530.50542

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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(=CC=C3)[N+](=O)[O-])C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H18N2O8S/c1-3-35-27(32)24-21(25-28-18-9-4-5-10-20(18)38-25)22(30)17-11-12-19(14(2)23(17)37-24)36-26(31)15-7-6-8-16(13-15)29(33)34/h4-13H,3H2,1-2H3