methyl (2S)-2-[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H18ClNO3S2 MolecularWeight: 383.91272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C17H18ClNO3S2/c1-22-17(21)12(9-10-23-2)19-15(20)8-7-14-16(18)11-5-3-4-6-13(11)24-14/h3-8,12H,9-10H2,1-2H3,(H,19,20)/b8-7+/t12-/m0/s1