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

Systemtic Name: ethyl 2-[(5-nitropyridin-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-nitro-2-pyridyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-nitropyridin-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-nitro-2-pyridyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S2/c1-2-27-18(24)14-10-15(12-6-4-3-5-7-12)29-17(14)22-19(28)21-16-9-8-13(11-20-16)23(25)26/h3-11H,2H2,1H3,(H2,20,21,22,28)