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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 2-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(C)C)C4=NC5=CC=CC=C5S4

InChI

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