methyl 3-(2-bromoethylsulfanylmethyl)-1H-indole-5-carboxylate

Systemtic Name: methyl 3-(2-bromoethylsulfanylmethyl)-1H-indole-5-carboxylate Openeye Name: methyl 3-(2-bromoethylsulfanylmethyl)-1H-indole-5-carboxylate CAS Name: 3-[(2-bromoethylthio)methyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-bromoethylsulfanylmethyl)-1H-indole-5-carboxylate Traditional Name: 3-[(2-bromoethylthio)methyl]-1H-indole-5-carboxylic acid methyl ester Formula: C13H14BrNO2S MolecularWeight: 328.22476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC=C2CSCCBr

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC=C2CSCCBr

InChI

InChI=1S/C13H14BrNO2S/c1-17-13(16)9-2-3-12-11(6-9)10(7-15-12)8-18-5-4-14/h2-3,6-7,15H,4-5,8H2,1H3