2-[cyclopentyl-(4-ethanoylphenyl)carbothioyl-amino]ethanoic acid

Systemtic Name: 2-[cyclopentyl-(4-ethanoylphenyl)carbothioyl-amino]ethanoic acid Openeye Name: 2-[(4-acetylbenzenecarbothioyl)-cyclopentyl-amino]acetic acid CAS Name: 2-[[(4-acetylphenyl)-sulfanylidenemethyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[(4-acetylbenzenecarbothioyl)-cyclopentylamino]acetic acid Traditional Name: 2-[(4-acetylthiobenzoyl)-cyclopentyl-amino]acetic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S/c1-11(18)12-6-8-13(9-7-12)16(21)17(10-15(19)20)14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H,19,20)