tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(benzothiophen-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1-benzothiophen-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzothiophen-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamic acid tert-butyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CSC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C17H22N2O3S/c1-17(2,3)22-16(21)19-13(15(20)18-4)9-11-10-23-14-8-6-5-7-12(11)14/h5-8,10,13H,9H2,1-4H3,(H,18,20)(H,19,21)/t13-/m0/s1