ethyl 4,5-dimethyl-2-[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[[phenylimino(1-pyrrolidinyl)methyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(N-phenyl-C-pyrrolidino-carbonimidoyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C22H27N3O3S2/c1-4-28-21(27)19-15(2)16(3)30-20(19)24-18(26)14-29-22(25-12-8-9-13-25)23-17-10-6-5-7-11-17/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,24,26)