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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C25H23N3O3S3 MolecularWeight: 509.66342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCN4C(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CCCN4C(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N3O3S3/c1-31-20-8-3-2-6-16(20)15-33-25-27-18-11-10-17(14-22(18)34-25)26-23(29)19-7-4-12-28(19)24(30)21-9-5-13-32-21/h2-3,5-6,8-11,13-14,19H,4,7,12,15H2,1H3,(H,26,29)