(4-nitrophenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid (4-nitrobenzyl) ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-2-11-21-17-6-4-3-5-16(17)20-19(21)27-13-18(23)26-12-14-7-9-15(10-8-14)22(24)25/h3-10H,2,11-13H2,1H3