[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl] ester Formula: C27H21NO4S MolecularWeight: 455.52494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4

InChI

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