(3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H17N3O5S/c1-25-11-6-7-12-13(8-11)21-19(20-12)28-10-17(23)22-18(24)16-9-26-14-4-2-3-5-15(14)27-16/h2-8,16H,9-10H2,1H3,(H,20,21)(H,22,23,24)/t16-/m0/s1