ethyl 1-ethyl-2-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-[(5-nosylthiazol-2-yl)amino]ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C23H21N5O7S3 MolecularWeight: 575.63714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O7S3/c1-3-27-18-10-5-14(21(30)35-4-2)11-17(18)25-23(27)36-13-19(29)26-22-24-12-20(37-22)38(33,34)16-8-6-15(7-9-16)28(31)32/h5-12H,3-4,13H2,1-2H3,(H,24,26,29)