(5-chloranylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-prop-2-enylazanium Traditional Name: allyl-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]-[(5-chloro-2-thienyl)methyl]ammonium Formula: C20H24ClN2O2S+ MolecularWeight: 391.93476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-3-11-23(13-17-9-10-19(21)26-17)14-20(25)22-18(15(2)24)12-16-7-5-4-6-8-16/h3-10,18H,1,11-14H2,2H3,(H,22,25)/p+1/t18-/m0/s1