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

Systemtic Name: methyl 5-ethyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-methyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-methyl-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-methyl-5-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S2/c1-4-11-8-12(15(20)23-3)14(25-11)18-16(24)17-13-7-10(19(21)22)6-5-9(13)2/h5-8H,4H2,1-3H3,(H2,17,18,24)