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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 4-methoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21NO5S/c1-15(2)25-23(26-28-20-6-4-5-7-22(20)34-26)24(29)19-13-12-18(14-21(19)33-25)32-27(30)16-8-10-17(31-3)11-9-16/h4-15H,1-3H3