methyl 4-[2-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-methyl-4-nitrothiophene-2-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NCCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NCCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-10-13(18(21)22)9-14(24-10)15(19)17-8-7-11-3-5-12(6-4-11)16(20)23-2/h3-6,9H,7-8H2,1-2H3,(H,17,19)