N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C18H17N3O5S3 MolecularWeight: 451.53968

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S3/c22-17(13-4-5-15(28-13)21(23)24)19-11-2-3-12-14(10-11)29-18(20-12)27-9-6-16-25-7-1-8-26-16/h2-5,10,16H,1,6-9H2,(H,19,22)