3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H18N4O5S2 MolecularWeight: 470.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S2/c1-13-12-31-21(22-13)32-18-8-7-14(11-17(18)25(28)29)19(26)30-10-4-9-24-16-6-3-2-5-15(16)23-20(24)27/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,27)