ethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]ethanoate Openeye Name: ethyl 2-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]acetate CAS Name: 2-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-methoxy-4-nitrophenyl)carbamothioylamino]acetate Traditional Name: 2-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]acetic acid ethyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C12H15N3O5S/c1-3-20-11(16)7-13-12(21)14-9-5-4-8(15(17)18)6-10(9)19-2/h4-6H,3,7H2,1-2H3,(H2,13,14,21)