ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indole-2-carboxylate

Systemtic Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-indole-2-carboxylate Openeye Name: ethyl 5-allyloxy-3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]indole-2-carboxylate CAS Name: 3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-prop-2-enoxyindole-2-carboxylate Traditional Name: 5-allyloxy-3-(tert-butylthio)-1-(4-chlorobenzyl)indole-2-carboxylic acid ethyl ester Formula: C25H28ClNO3S MolecularWeight: 458.01272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC=C)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OCC=C)SC(C)(C)C

InChI

InChI=1S/C25H28ClNO3S/c1-6-14-30-19-12-13-21-20(15-19)23(31-25(3,4)5)22(24(28)29-7-2)27(21)16-17-8-10-18(26)11-9-17/h6,8-13,15H,1,7,14,16H2,2-5H3