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

Systemtic Name: propyl 4-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]benzoic acid propyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-2-9-28-19(25)12-3-6-14(7-4-12)21-17(23)11-29-16-8-5-13(18(20)24)10-15(16)22(26)27/h3-8,10H,2,9,11H2,1H3,(H2,20,24)(H,21,23)