4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4,5-diphenyloxazol-2-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C27H21NO3S MolecularWeight: 439.52554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21NO3S/c1-17-13-14-22-21(15-23(29)30-25(22)18(17)2)16-32-27-28-24(19-9-5-3-6-10-19)26(31-27)20-11-7-4-8-12-20/h3-15H,16H2,1-2H3