methyl 2-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-phenyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrophenyl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C15H14ClN3O4S2 MolecularWeight: 399.87236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O4S2/c1-3-9-7-10(14(20)23-2)13(25-9)18-15(24)17-12-5-4-8(19(21)22)6-11(12)16/h4-7H,3H2,1-2H3,(H2,17,18,24)