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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2,6-diethyl-4-keto-chromen-7-yl] ester Formula: C27H20N2O6S MolecularWeight: 500.5225

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H20N2O6S/c1-3-15-13-18-22(14-21(15)35-27(31)16-8-7-9-17(12-16)29(32)33)34-20(4-2)24(25(18)30)26-28-19-10-5-6-11-23(19)36-26/h5-14H,3-4H2,1-2H3