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

Systemtic Name: 2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-7-3-4-10-9(5-7)6-11(20-10)13(17)15-12(8(2)16)14(18)19/h6-8,12,16H,3-5H2,1-2H3,(H,15,17)(H,18,19)