ethyl 3-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]benzoate CAS Name: 3-[[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 3-[(3-chloro-6-nitro-benzothiophene-2-carbonyl)amino]benzoic acid ethyl ester Formula: C18H13ClN2O5S MolecularWeight: 404.82422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O5S/c1-2-26-18(23)10-4-3-5-11(8-10)20-17(22)16-15(19)13-7-6-12(21(24)25)9-14(13)27-16/h3-9H,2H2,1H3,(H,20,22)