2-[(3-azanyl-2-methoxycarbonyl-1-benzothiophen-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3-azanyl-2-methoxycarbonyl-1-benzothiophen-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-(3-amino-2-methoxycarbonyl-benzothiophen-6-yl)sulfanylacetic acid CAS Name: 2-[(3-amino-2-methoxycarbonyl-1-benzothiophen-6-yl)thio]acetic acid IUPAC Name: 2-[(3-amino-2-methoxycarbonyl-1-benzothiophen-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-amino-2-carbomethoxy-benzothiophen-6-yl)thio]acetic acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)SCC(=O)O)N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)SCC(=O)O)N

InChI

InChI=1S/C12H11NO4S2/c1-17-12(16)11-10(13)7-3-2-6(4-8(7)19-11)18-5-9(14)15/h2-4H,5,13H2,1H3,(H,14,15)