tert-butyl 3-(sulfanylmethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(sulfanylmethyl)indole-1-carboxylate Openeye Name: tert-butyl 3-(sulfanylmethyl)indole-1-carboxylate CAS Name: 3-(mercaptomethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(sulfanylmethyl)indole-1-carboxylate Traditional Name: 3-(mercaptomethyl)indole-1-carboxylic acid tert-butyl ester Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CS

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CS

InChI

InChI=1S/C14H17NO2S/c1-14(2,3)17-13(16)15-8-10(9-18)11-6-4-5-7-12(11)15/h4-8,18H,9H2,1-3H3