2-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[4-(5-carbamimidoylthiazol-2-yl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[4-(5-carbamimidoyl-2-thiazolyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[4-(5-amidinothiazol-2-yl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]acetic acid Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N)CC(=O)O

Isomeric SMILES

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N)CC(=O)O

InChI

InChI=1S/C17H18N4O4S/c18-15(19)13-7-20-17(26-13)9-1-3-12(4-2-9)25-8-11-5-10(6-14(22)23)16(24)21-11/h1-4,7,10-11H,5-6,8H2,(H3,18,19)(H,21,24)(H,22,23)