4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H19NO3S MolecularWeight: 365.44546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4O3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4O3)C(C)C

InChI

InChI=1S/C21H19NO3S/c1-12(2)15-10-16-14(9-20(23)24-19(16)8-13(15)3)11-26-21-22-17-6-4-5-7-18(17)25-21/h4-10,12H,11H2,1-3H3