1-[2-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(5-carbamimidoylthiazol-2-yl)phenoxy]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[4-(5-carbamimidoyl-2-thiazolyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[4-(5-amidinothiazol-2-yl)phenoxy]acetyl]isonipecotic acid Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

InChI

InChI=1S/C18H20N4O4S/c19-16(20)14-9-21-17(27-14)11-1-3-13(4-2-11)26-10-15(23)22-7-5-12(6-8-22)18(24)25/h1-4,9,12H,5-8,10H2,(H3,19,20)(H,24,25)