butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate

Systemtic Name: butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Openeye Name: butyl 4-isothiocyanato-7-methyl-indoline-2-carboxylate CAS Name: 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylic acid butyl ester IUPAC Name: butyl 4-isothiocyanato-7-methyl-2,3-dihydro-1H-indole-2-carboxylate Traditional Name: 4-isothiocyanato-7-methyl-indoline-2-carboxylic acid butyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC2=C(C=CC(=C2N1)C)N=C=S

Isomeric SMILES

CCCCOC(=O)C1CC2=C(C=CC(=C2N1)C)N=C=S

InChI

InChI=1S/C15H18N2O2S/c1-3-4-7-19-15(18)13-8-11-12(16-9-20)6-5-10(2)14(11)17-13/h5-6,13,17H,3-4,7-8H2,1-2H3