[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] benzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-8-methyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-2-propan-2-ylchromen-7-yl] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-8-methyl-chromen-7-yl] ester Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H21NO4S/c1-15(2)24-22(26-28-19-11-7-8-12-21(19)33-26)23(29)18-13-14-20(16(3)25(18)32-24)31-27(30)17-9-5-4-6-10-17/h4-15H,1-3H3