2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-butyric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-3-9-4-5-11-10(6-9)7-12(21-11)14(18)16-13(8(2)17)15(19)20/h7-9,13,17H,3-6H2,1-2H3,(H,16,18)(H,19,20)