ethyl 5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(5-nitro-2-pyridyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(5-nitro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(5-nitropyridin-2-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(5-nitro-2-pyridyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-3-28-19(25)17-16(13-7-5-4-6-8-13)12(2)30-18(17)23-20(29)22-15-10-9-14(11-21-15)24(26)27/h4-11H,3H2,1-2H3,(H2,21,22,23,29)