tert-butyl 3-(2-isothiocyanatoethyl)-7-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-isothiocyanatoethyl)-7-methyl-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-isothiocyanatoethyl)-7-methyl-indole-1-carboxylate CAS Name: 3-(2-isothiocyanatoethyl)-7-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-isothiocyanatoethyl)-7-methylindole-1-carboxylate Traditional Name: 3-(2-isothiocyanatoethyl)-7-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C=C2CCN=C=S)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C=C2CCN=C=S)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H20N2O2S/c1-12-6-5-7-14-13(8-9-18-11-22)10-19(15(12)14)16(20)21-17(2,3)4/h5-7,10H,8-9H2,1-4H3