ethyl 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c1-2-29-19(26)17-12-5-3-4-6-15(12)31-18(17)23-16(25)10-30-20-21-13-8-7-11(24(27)28)9-14(13)22-20/h7-9H,2-6,10H2,1H3,(H,21,22)(H,23,25)