2-methoxyethyl 2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methyl-3,5-dinitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c1-11-14(22(26)27)9-12(10-15(11)23(28)29)18(24)21-19-17(20(25)31-8-7-30-2)13-5-3-4-6-16(13)32-19/h9-10H,3-8H2,1-2H3,(H,21,24)