(3S)-4-methoxy-4-oxidanylidene-3-(thiophen-2-ylmethyl)butanoic acid

Systemtic Name: (3S)-4-methoxy-4-oxidanylidene-3-(thiophen-2-ylmethyl)butanoic acid Openeye Name: (3S)-4-methoxy-4-oxo-3-(2-thienylmethyl)butanoic acid CAS Name: (3S)-4-methoxy-4-oxo-3-(thiophen-2-ylmethyl)butanoic acid IUPAC Name: (3S)-4-methoxy-4-oxo-3-(thiophen-2-ylmethyl)butanoic acid Traditional Name: (3S)-4-keto-4-methoxy-3-(2-thenyl)butyric acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CS1)CC(=O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CS1)CC(=O)O

InChI

InChI=1S/C10H12O4S/c1-14-10(13)7(6-9(11)12)5-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H,11,12)/t7-/m1/s1