2-(2-thiophen-3-yl-1,4-thiazepan-4-yl)ethanoic acid

Systemtic Name: 2-(2-thiophen-3-yl-1,4-thiazepan-4-yl)ethanoic acid Openeye Name: 2-[2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[2-(3-thiophenyl)-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-(2-thiophen-3-yl-1,4-thiazepan-4-yl)acetic acid Traditional Name: 2-[2-(3-thienyl)-1,4-thiazepan-4-yl]acetic acid Formula: C11H15NO2S2 MolecularWeight: 257.3723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(SC1)C2=CSC=C2)CC(=O)O

Isomeric SMILES

C1CN(CC(SC1)C2=CSC=C2)CC(=O)O

InChI

InChI=1S/C11H15NO2S2/c13-11(14)7-12-3-1-4-16-10(6-12)9-2-5-15-8-9/h2,5,8,10H,1,3-4,6-7H2,(H,13,14)