methyl (2S)-2-azanyl-3-[1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[1,1-bis(oxidanylidene)-1-benzothiophen-3-yl]propanoate Openeye Name: methyl (2S)-2-amino-3-(1,1-dioxobenzothiophen-3-yl)propanoate CAS Name: (2S)-2-amino-3-(1,1-dioxo-1-benzothiophen-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(1,1-dioxo-1-benzothiophen-3-yl)propanoate Traditional Name: (2S)-2-amino-3-(1,1-diketobenzothiophen-3-yl)propionic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CS(=O)(=O)C2=CC=CC=C21)N

Isomeric SMILES

COC(=O)[C@H](CC1=CS(=O)(=O)C2=CC=CC=C21)N

InChI

InChI=1S/C12H13NO4S/c1-17-12(14)10(13)6-8-7-18(15,16)11-5-3-2-4-9(8)11/h2-5,7,10H,6,13H2,1H3/t10-/m0/s1