[3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 4-methylbenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxochromen-7-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C26H19NO4S MolecularWeight: 441.49836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=O)C(=C(O3)C)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C26H19NO4S/c1-14-8-10-17(11-9-14)26(29)31-20-13-12-18-23(28)22(16(3)30-24(18)15(20)2)25-27-19-6-4-5-7-21(19)32-25/h4-13H,1-3H3