methyl (2S)-2-[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C15H14ClNO4S MolecularWeight: 339.79396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClNO4S/c1-21-15(20)10(8-18)17-13(19)7-6-12-14(16)9-4-2-3-5-11(9)22-12/h2-7,10,18H,8H2,1H3,(H,17,19)/b7-6+/t10-/m0/s1