(2R,4S)-2-azanyl-4-(3-chloranyl-1-benzothiophen-2-yl)pentanedioic acid

Systemtic Name: (2R,4S)-2-azanyl-4-(3-chloranyl-1-benzothiophen-2-yl)pentanedioic acid Openeye Name: (2R,4S)-2-amino-4-(3-chlorobenzothiophen-2-yl)pentanedioic acid CAS Name: (2R,4S)-2-amino-4-(3-chloro-1-benzothiophen-2-yl)pentanedioic acid IUPAC Name: (2R,4S)-2-amino-4-(3-chloro-1-benzothiophen-2-yl)pentanedioic acid Traditional Name: (2R,4S)-2-amino-4-(3-chlorobenzothiophen-2-yl)glutaric acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(CC(C(=O)O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)[C@@H](C[C@H](C(=O)O)N)C(=O)O)Cl

InChI

InChI=1S/C13H12ClNO4S/c14-10-6-3-1-2-4-9(6)20-11(10)7(12(16)17)5-8(15)13(18)19/h1-4,7-8H,5,15H2,(H,16,17)(H,18,19)/t7-,8-/m1/s1