9H-fluoren-9-ylmethyl N-[(2S,3S)-1-isothiocyanato-3-methyl-pentan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-isothiocyanato-3-methyl-pentan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S,2S)-1-(isothiocyanatomethyl)-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-isothiocyanato-3-methylpentan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-isothiocyanato-3-methylpentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(isothiocyanatomethyl)-2-methyl-butyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CN=C=S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CC[C@H](C)[C@@H](CN=C=S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C22H24N2O2S/c1-3-15(2)21(12-23-14-27)24-22(25)26-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,3,12-13H2,1-2H3,(H,24,25)/t15-,21+/m0/s1