ethyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-2-27-18(24)11-3-6-13(7-4-11)20-16(22)10-28-15-8-5-12(17(19)23)9-14(15)21(25)26/h3-9H,2,10H2,1H3,(H2,19,23)(H,20,22)