methyl 4,5-dimethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=C(C=C2)[N+](=O)[O-])C

InChI

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