4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-chromen-2-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methyl-chromen-2-one CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-methylchromen-2-one Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-7-methyl-coumarin Formula: C18H13NO2S2 MolecularWeight: 339.43132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13NO2S2/c1-11-6-7-13-12(9-17(20)21-15(13)8-11)10-22-18-19-14-4-2-3-5-16(14)23-18/h2-9H,10H2,1H3