ethyl 5-bromanyl-3-(1-ethoxycarbonylpiperidin-4-yl)sulfanyl-indole-1-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(1-ethoxycarbonylpiperidin-4-yl)sulfanyl-indole-1-carboxylate Openeye Name: ethyl 5-bromo-3-[(1-ethoxycarbonyl-4-piperidyl)sulfanyl]indole-1-carboxylate CAS Name: 5-bromo-3-[(1-ethoxycarbonyl-4-piperidinyl)thio]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(1-ethoxycarbonylpiperidin-4-yl)sulfanylindole-1-carboxylate Traditional Name: 5-bromo-3-[(1-carbethoxy-4-piperidyl)thio]indole-1-carboxylic acid ethyl ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)SC2=CN(C3=C2C=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)SC2=CN(C3=C2C=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C19H23BrN2O4S/c1-3-25-18(23)21-9-7-14(8-10-21)27-17-12-22(19(24)26-4-2)16-6-5-13(20)11-15(16)17/h5-6,11-12,14H,3-4,7-10H2,1-2H3