N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H20N4O3S2/c1-12(26)22-14-6-7-17-18(9-14)30-21(23-17)24-20(28)13-8-19(27)25(11-13)15-4-3-5-16(10-15)29-2/h3-7,9-10,13H,8,11H2,1-2H3,(H,22,26)(H,23,24,28)