methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S2/c1-24-9-6-7-11(12(8-9)20(22)23)18-17(26)19-15-14(16(21)25-2)10-4-3-5-13(10)27-15/h6-8H,3-5H2,1-2H3,(H2,18,19,26)