4-[[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]methyl]-7-methyl-coumarin Formula: C26H25NO3S MolecularWeight: 431.5466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25NO3S/c1-17-9-10-22-21(13-26(29)30-25(22)11-17)15-31-16-24(28)23-12-18(2)27(19(23)3)14-20-7-5-4-6-8-20/h4-13H,14-16H2,1-3H3