2-[cyclopentyl-(2-ethanoylphenyl)carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-(2-ethanoylphenyl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[(2-acetylbenzenecarbothioyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[(2-acetylphenyl)-sulfanylidenemethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(2-acetylbenzenecarbothioyl)-cyclopentylamino]acetic acid Traditional Name: 2-[(2-acetylthiobenzoyl)-cyclopentyl-amino]acetic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=S)N(CC(=O)O)C2CCCC2

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=S)N(CC(=O)O)C2CCCC2

InChI

InChI=1S/C16H19NO3S/c1-11(18)13-8-4-5-9-14(13)16(21)17(10-15(19)20)12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20)