3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CN(C)C(=O)CSC1=CC=CC=C1C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H23N3O4S/c1-23(2)19(25)14-29-18-11-6-3-8-15(18)20(26)28-13-7-12-24-17-10-5-4-9-16(17)22-21(24)27/h3-6,8-11H,7,12-14H2,1-2H3,(H,22,27)