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

Systemtic Name: methyl 2-[[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C18H16BrN3O4S/c1-11-9-14(18(24)25-2)17(27-11)20-16(23)15-7-8-22(21-15)10-26-13-5-3-12(19)4-6-13/h3-9H,10H2,1-2H3,(H,20,23)