5-(3-azanyl-4-ethoxycarbonyl-thiophen-2-yl)pentanoic acid

Systemtic Name: 5-(3-azanyl-4-ethoxycarbonyl-thiophen-2-yl)pentanoic acid Openeye Name: 5-(3-amino-4-ethoxycarbonyl-2-thienyl)pentanoic acid CAS Name: 5-(3-amino-4-ethoxycarbonyl-2-thiophenyl)pentanoic acid IUPAC Name: 5-(3-amino-4-ethoxycarbonylthiophen-2-yl)pentanoic acid Traditional Name: 5-(3-amino-4-carbethoxy-2-thienyl)valeric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=C1N)CCCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CSC(=C1N)CCCCC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-2-17-12(16)8-7-18-9(11(8)13)5-3-4-6-10(14)15/h7H,2-6,13H2,1H3,(H,14,15)