N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C22H23N3O7S2 MolecularWeight: 505.56392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N3O7S2/c1-29-17-11-14(16(25(27)28)12-18(17)30-2)21(26)23-13-4-5-15-19(10-13)34-22(24-15)33-9-6-20-31-7-3-8-32-20/h4-5,10-12,20H,3,6-9H2,1-2H3,(H,23,26)