methyl 5-aminocarbonyl-2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H19BrN6O4S MolecularWeight: 495.35026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C)C(=O)N

InChI

InChI=1S/C18H19BrN6O4S/c1-8-12(18(28)29-4)17(30-14(8)15(20)26)21-16(27)11-5-6-24(23-11)7-25-10(3)13(19)9(2)22-25/h5-6H,7H2,1-4H3,(H2,20,26)(H,21,27)