[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-keto-2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]ethyl] ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6S/c1-3-10-25(13-21(27)24-18-7-5-4-6-15(18)2)22(28)14-32-23(29)20-12-16-11-17(26(30)31)8-9-19(16)33-20/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,24,27)