(phenylmethyl) N-[(2S)-1-(1-benzothiophen-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(1-benzothiophen-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(benzothiophene-2-carbonyl)-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(1-benzothiophen-2-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(1-benzothiophen-2-yl)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzothiophene-2-carbonyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=CC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)C1=CC2=CC=CC=C2S1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-14(2)19(22-21(24)25-13-15-8-4-3-5-9-15)20(23)18-12-16-10-6-7-11-17(16)26-18/h3-12,14,19H,13H2,1-2H3,(H,22,24)/t19-/m0/s1