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

Systemtic Name: methyl 1-[2-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[4-(5-carbamimidoylthiazol-2-yl)phenoxy]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(5-carbamimidoyl-2-thiazolyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(5-amidinothiazol-2-yl)phenoxy]acetyl]isonipecotic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N

InChI

InChI=1S/C19H22N4O4S/c1-26-19(25)13-6-8-23(9-7-13)16(24)11-27-14-4-2-12(3-5-14)18-22-10-15(28-18)17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H3,20,21)