methyl 5-ethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H14N4O4S2 MolecularWeight: 366.41536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H14N4O4S2/c1-3-9-6-10(13(19)22-2)12(24-9)17-14(23)16-11-5-4-8(7-15-11)18(20)21/h4-7H,3H2,1-2H3,(H2,15,16,17,23)