propyl 5-aminocarbonyl-2-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-2-[[1-[(2-chloranyl-4-nitro-phenoxy)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-2-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[[1-[(2-chloro-4-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-2-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[1-[(2-chloro-4-nitro-phenoxy)methyl]pyrazole-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H20ClN5O7S MolecularWeight: 521.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN5O7S/c1-3-8-33-21(30)16-11(2)17(18(23)28)35-20(16)24-19(29)14-6-7-26(25-14)10-34-15-5-4-12(27(31)32)9-13(15)22/h4-7,9H,3,8,10H2,1-2H3,(H2,23,28)(H,24,29)