3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-6-propyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-6-propyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-6-propyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-6-propyl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-6-propylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-6-propyl-chromone Formula: C20H17NO3S MolecularWeight: 351.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H17NO3S/c1-3-6-12-9-13-16(10-15(12)22)24-11(2)18(19(13)23)20-21-14-7-4-5-8-17(14)25-20/h4-5,7-10,22H,3,6H2,1-2H3