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

Systemtic Name: tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(1-benzothiophen-3-yl)-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzothiophen-3-ylmethyl)-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-18(2,3)24-17(23)21-14(16(22)20-9-8-19)10-12-11-25-15-7-5-4-6-13(12)15/h4-7,11,14H,9-10H2,1-3H3,(H,20,22)(H,21,23)/t14-/m0/s1