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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17NO4S/c1-14-19(30-25(28)16-8-4-3-5-9-16)13-12-17-22(27)21(15(2)29-23(14)17)24-26-18-10-6-7-11-20(18)31-24/h3-13H,1-2H3