9H-fluoren-9-ylmethyl N-[(2S)-1-isothiocyanato-3-phenyl-propan-2-yl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-isothiocyanato-3-phenyl-propan-2-yl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[(1S)-1-benzyl-2-isothiocyanato-ethyl]carbamate CAS Name: N-[(2S)-1-isothiocyanato-3-phenylpropan-2-yl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-1-isothiocyanato-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-isothiocyanato-ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN=C=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CN=C=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H22N2O2S/c28-25(27-19(15-26-17-30)14-18-8-2-1-3-9-18)29-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-16H2,(H,27,28)/t19-/m0/s1