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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] cyclohexanecarboxylate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-chromen-7-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C24H21NO4S MolecularWeight: 419.49284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21NO4S/c1-14-21(23-25-18-9-5-6-10-20(18)30-23)22(26)17-12-11-16(13-19(17)28-14)29-24(27)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3