ethyl 4-cyclopropyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(4-nitrophenyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(4-nitrophenyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(4-nitrophenyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S2/c1-2-25-18(22)16-14(11-3-4-11)9-27-17(16)19-15(21)10-26-13-7-5-12(6-8-13)20(23)24/h5-9,11H,2-4,10H2,1H3,(H,19,21)