(2S)-2-(1-benzothiophen-3-ylmethyl)butanedioic acid

Systemtic Name: (2S)-2-(1-benzothiophen-3-ylmethyl)butanedioic acid Openeye Name: (2S)-2-(benzothiophen-3-ylmethyl)butanedioic acid CAS Name: (2S)-2-(1-benzothiophen-3-ylmethyl)butanedioic acid IUPAC Name: (2S)-2-(1-benzothiophen-3-ylmethyl)butanedioic acid Traditional Name: (2S)-2-(benzothiophen-3-ylmethyl)succinic acid Formula: C13H12O4S MolecularWeight: 264.29698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H12O4S/c14-12(15)6-8(13(16)17)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,7-8H,5-6H2,(H,14,15)(H,16,17)/t8-/m0/s1