methyl 6-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H15BrClN3O3S MolecularWeight: 456.7413

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(CN1C=C(C=N1)Br)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H15BrClN3O3S/c1-9(7-22-8-10(18)6-20-22)16(23)21-11-3-4-12-13(5-11)26-15(14(12)19)17(24)25-2/h3-6,8-9H,7H2,1-2H3,(H,21,23)