N-[1-(1,3-benzothiazol-2-yl)-5-methoxy-1-oxidanylidene-pentan-2-yl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-5-methoxy-1-oxidanylidene-pentan-2-yl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-methoxy-butyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-5-methoxy-1-oxopentan-2-yl]-1-[2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-5-methoxy-1-oxopentan-2-yl]-1-[2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazole-2-carbonyl)-4-methoxy-butyl]-1-[2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCOC)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCOC)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H34N4O4S/c1-29-22(18-19-10-4-3-5-11-19)28(35)32-16-8-14-23(32)26(34)30-21(13-9-17-36-2)25(33)27-31-20-12-6-7-15-24(20)37-27/h3-7,10-12,15,21-23,29H,8-9,13-14,16-18H2,1-2H3,(H,30,34)