N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C23H25N3O4S3 MolecularWeight: 503.6573

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5OCCCO5

InChI

InChI=1S/C23H25N3O4S3/c27-21(17-4-1-9-26(17)22(28)18-5-2-12-31-18)24-15-6-7-16-19(14-15)33-23(25-16)32-13-8-20-29-10-3-11-30-20/h2,5-7,12,14,17,20H,1,3-4,8-11,13H2,(H,24,27)