4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-7,8-dimethyl-coumarin Formula: C19H15NO3S MolecularWeight: 337.3923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C19H15NO3S/c1-11-7-8-14-13(9-17(21)23-18(14)12(11)2)10-24-19-20-15-5-3-4-6-16(15)22-19/h3-9H,10H2,1-2H3