3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCN1C2=CC=CC=C2NC1=O)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OCCCN1C2=CC=CC=C2NC1=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c1-13(2)17(22-18(24)16-9-5-12-28-16)19(25)27-11-6-10-23-15-8-4-3-7-14(15)21-20(23)26/h3-5,7-9,12-13,17H,6,10-11H2,1-2H3,(H,21,26)(H,22,24)