2-acetyloxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole

Systemtic Name: 2-acetyloxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-benzimidazole Openeye Name: 2-acetoxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole CAS Name: 2-acetyloxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole IUPAC Name: 2-acetyloxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole Traditional Name: 2-acetoxybenzoic acid; 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-benzimidazole Formula: C26H27N3O7S MolecularWeight: 525.57348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C17H19N3O3S.C9H8O4/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h5-8H,9H2,1-4H3,(H,19,20);2-5H,1H3,(H,11,12)