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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-propan-2-ylchromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C28H22N2O6S MolecularWeight: 514.54908

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H22N2O6S/c1-4-16-13-19-22(14-21(16)36-28(32)17-8-7-9-18(12-17)30(33)34)35-26(15(2)3)24(25(19)31)27-29-20-10-5-6-11-23(20)37-27/h5-15H,4H2,1-3H3