methyl 3-[5-(bromomethyl)thiophen-2-yl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate

Systemtic Name: methyl 3-[5-(bromomethyl)thiophen-2-yl]carbonyl-1-(dimethylcarbamoyl)indole-4-carboxylate Openeye Name: methyl 3-[5-(bromomethyl)thiophene-2-carbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylate CAS Name: 3-[[5-(bromomethyl)-2-thiophenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[5-(bromomethyl)thiophene-2-carbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylate Traditional Name: 3-[5-(bromomethyl)thiophene-2-carbonyl]-1-(dimethylcarbamoyl)indole-4-carboxylic acid methyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(S3)CBr

Isomeric SMILES

CN(C)C(=O)N1C=C(C2=C(C=CC=C21)C(=O)OC)C(=O)C3=CC=C(S3)CBr

InChI

InChI=1S/C19H17BrN2O4S/c1-21(2)19(25)22-10-13(17(23)15-8-7-11(9-20)27-15)16-12(18(24)26-3)5-4-6-14(16)22/h4-8,10H,9H2,1-3H3