ethyl 2-[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]sulfanylethanoate Openeye Name: ethyl 2-[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]sulfanylacetate CAS Name: 2-[[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]sulfanylacetate Traditional Name: 2-[[(1H-benzimidazol-2-ylamino)-(4-nitrophenyl)methyl]thio]acetic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C1=CC=C(C=C1)[N+](=O)[O-])NC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CSC(C1=CC=C(C=C1)[N+](=O)[O-])NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18N4O4S/c1-2-26-16(23)11-27-17(12-7-9-13(10-8-12)22(24)25)21-18-19-14-5-3-4-6-15(14)20-18/h3-10,17H,2,11H2,1H3,(H2,19,20,21)