[3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H18N2O6S MolecularWeight: 486.49592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H18N2O6S/c1-3-15-12-18-21(13-20(15)34-26(30)16-7-6-8-17(11-16)28(31)32)33-14(2)23(24(18)29)25-27-19-9-4-5-10-22(19)35-25/h4-13H,3H2,1-2H3