(2S)-2-[(S)-(4-bromophenyl)-thiophen-3-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-[(S)-(4-bromophenyl)-thiophen-3-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: (2S)-2-[(S)-(4-bromophenyl)-(3-thienyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: (2S)-2-[(S)-(4-bromophenyl)-(3-thiophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: (2S)-2-[(S)-(4-bromophenyl)-thiophen-3-ylmethoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: (2S)-2-[(S)-(4-bromophenyl)-(3-thienyl)methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=CSC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)O[C@@H](C1=CC=C(C=C1)Br)C2=CSC=C2

InChI

InChI=1S/C19H21BrN2O2S/c1-13(2)11-17(19(23)22-9-8-21)24-18(15-7-10-25-12-15)14-3-5-16(20)6-4-14/h3-7,10,12-13,17-18H,9,11H2,1-2H3,(H,22,23)/t17-,18-/m0/s1