methyl 6-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C19H19BrClN3O3S MolecularWeight: 484.79446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C)Br

InChI

InChI=1S/C19H19BrClN3O3S/c1-9(8-24-11(3)15(20)10(2)23-24)18(25)22-12-5-6-13-14(7-12)28-17(16(13)21)19(26)27-4/h5-7,9H,8H2,1-4H3,(H,22,25)