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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 4-methoxybenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxochromen-7-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C25H17NO5S MolecularWeight: 443.47118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17NO5S/c1-14-20(31-25(28)15-7-9-16(29-2)10-8-15)12-11-17-22(27)18(13-30-23(14)17)24-26-19-5-3-4-6-21(19)32-24/h3-13H,1-2H3