methyl 4-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(5-nitrobenzothiophene-2-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(5-nitrobenzothiophene-2-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5S/c1-26-19(23)13-4-2-12(3-5-13)8-9-20-18(22)17-11-14-10-15(21(24)25)6-7-16(14)27-17/h2-7,10-11H,8-9H2,1H3,(H,20,22)