2-[(3-cyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-cyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[(3-cyanophenyl)methyl]-2-(methoxycarbonylamino)-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-cyanophenyl)methyl]-2-(methoxycarbonylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(carbomethoxyamino)-2-(3-cyanobenzyl)-4-(methylthio)butyric acid Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CCSC)(CC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

COC(=O)NC(CCSC)(CC1=CC=CC(=C1)C#N)C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-21-14(20)17-15(13(18)19,6-7-22-2)9-11-4-3-5-12(8-11)10-16/h3-5,8H,6-7,9H2,1-2H3,(H,17,20)(H,18,19)