methyl 4-[[5-chloranyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[5-chloranyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[5-chloro-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[5-chloro-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C21H22ClN3O6S MolecularWeight: 479.93388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCC(CC1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O6S/c1-31-21(28)14-7-5-13(6-8-14)18(26)24-20-16(10-17(22)32-20)19(27)23-11-12-3-2-4-15(9-12)25(29)30/h2-4,9-10,13-14H,5-8,11H2,1H3,(H,23,27)(H,24,26)