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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C=C(C=N3)Br

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C=C(C=N3)Br

InChI

InChI=1S/C17H15BrClN3O3S/c1-3-12(22-8-9(18)7-20-22)16(23)21-10-4-5-11-13(6-10)26-15(14(11)19)17(24)25-2/h4-8,12H,3H2,1-2H3,(H,21,23)