propan-2-yl 5-aminocarbonyl-2-[[1-[(4-bromanylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O4S/c1-9(2)29-18(28)13-10(3)14(15(20)26)30-17(13)22-16(27)12-4-5-24(23-12)8-25-7-11(19)6-21-25/h4-7,9H,8H2,1-3H3,(H2,20,26)(H,22,27)