4,5,6-triethoxy-7-[[1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-triethoxy-7-[[1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]-3H-2-benzofuran-1-one Openeye Name: 7-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-isobenzofuran-1-one CAS Name: 4,5,6-triethoxy-7-[[[1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-3H-isobenzofuran-1-one IUPAC Name: 7-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-4,5,6-triethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[[(1-benzylbenzimidazol-2-yl)thio]methyl]-4,5,6-triethoxy-phthalide Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4N3CC5=CC=CC=C5)OCC)OCC

InChI

InChI=1S/C29H30N2O5S/c1-4-33-25-20-17-36-28(32)24(20)21(26(34-5-2)27(25)35-6-3)18-37-29-30-22-14-10-11-15-23(22)31(29)16-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3