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

Systemtic Name: methyl 5-ethyl-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-4-10-8-11(15(20)24-3)14(26-10)18-16(25)17-12-6-5-9(23-2)7-13(12)19(21)22/h5-8H,4H2,1-3H3,(H2,17,18,25)