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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C28H23NO4S MolecularWeight: 469.55152

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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

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

InChI

InChI=1S/C28H23NO4S/c1-4-17-14-19-22(15-21(17)33-28(31)18-10-6-5-7-11-18)32-26(16(2)3)24(25(19)30)27-29-20-12-8-9-13-23(20)34-27/h5-16H,4H2,1-3H3