4-azanyl-2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-[(5-chloranylthiophen-2-yl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(5-chloro-2-thienyl)methylsulfanyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(5-chloro-2-thiophenyl)methylthio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(5-chloro-2-thienyl)methylthio]acetyl]amino]-4-keto-butyric acid Formula: C11H13ClN2O4S2 MolecularWeight: 336.81492

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)CSCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)CSCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H13ClN2O4S2/c12-8-2-1-6(20-8)4-19-5-10(16)14-7(11(17)18)3-9(13)15/h1-2,7H,3-5H2,(H2,13,15)(H,14,16)(H,17,18)