2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-2-cyclopropyl-propanoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-2-cyclopropylpropanoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-2-cyclopropyl-propionic acid Formula: C13H16ClNO3S2 MolecularWeight: 333.85404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)CSCC2=CC=C(S2)Cl

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)CSCC2=CC=C(S2)Cl

InChI

InChI=1S/C13H16ClNO3S2/c1-13(12(17)18,8-2-3-8)15-11(16)7-19-6-9-4-5-10(14)20-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)