4-[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-methoxycarbonylbenzothiophen-3-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-carbomethoxybenzothiophen-3-yl)amino]-4-keto-butyric acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H13NO5S/c1-20-14(19)13-12(15-10(16)6-7-11(17)18)8-4-2-3-5-9(8)21-13/h2-5H,6-7H2,1H3,(H,15,16)(H,17,18)