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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] propanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H17NO4S/c1-4-17(23)26-15-10-9-13-19(24)18(12(3)25-20(13)11(15)2)21-22-14-7-5-6-8-16(14)27-21/h5-10H,4H2,1-3H3