ethyl 3-aminocarbonyl-2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 3-aminocarbonyl-2-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 3-carbamoyl-2-[(5-chloro-2-nitro-benzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-carbamoyl-2-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-carbamoyl-2-[(5-chloro-2-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-carbamoyl-2-[(5-chloro-2-nitro-benzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C18H17ClN4O6S MolecularWeight: 452.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O6S/c1-2-29-18(26)22-6-5-10-13(8-22)30-17(14(10)15(20)24)21-16(25)11-7-9(19)3-4-12(11)23(27)28/h3-4,7H,2,5-6,8H2,1H3,(H2,20,24)(H,21,25)