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

Systemtic Name: ethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[(2-nitrophenyl)thiocarbamoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O4S2/c1-3-22-14(19)13-9(2)8-12(24-13)17-15(23)16-10-6-4-5-7-11(10)18(20)21/h4-8H,3H2,1-2H3,(H2,16,17,23)