tert-butyl 5-chloranyl-2-phenylsulfanyl-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-2-phenylsulfanyl-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 5-chloro-2-phenylsulfanyl-indoline-1-carboxylate CAS Name: 5-chloro-2-(phenylthio)-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-2-phenylsulfanyl-2,3-dihydroindole-1-carboxylate Traditional Name: 5-chloro-2-(phenylthio)indoline-1-carboxylic acid tert-butyl ester Formula: C19H20ClNO2S MolecularWeight: 361.8856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC2=C1C=CC(=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CC2=C1C=CC(=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C19H20ClNO2S/c1-19(2,3)23-18(22)21-16-10-9-14(20)11-13(16)12-17(21)24-15-7-5-4-6-8-15/h4-11,17H,12H2,1-3H3