methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxy-3-methyl-benzoate

Systemtic Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxy-3-methyl-benzoate Openeye Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxy-3-methyl-benzoate CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-methoxy-3-methylbenzoic acid methyl ester IUPAC Name: methyl 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxy-3-methylbenzoate Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-methoxy-3-methyl-benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=NC3=CC=CC=C3N2)C(=O)OC)OC

InChI

InChI=1S/C18H18N2O3S/c1-11-8-12(9-13(16(11)22-2)17(21)23-3)10-24-18-19-14-6-4-5-7-15(14)20-18/h4-9H,10H2,1-3H3,(H,19,20)