2-[(4-carbamimidoylphenyl)amino]-2-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxo-ethoxy)-3-methylsulfanyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxoethoxy)-3-(methylthio)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxoethoxy)-3-methylsulfanylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4-(2-ethoxy-2-keto-ethoxy)-3-(methylthio)phenyl]acetic acid Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

InChI

InChI=1S/C20H23N3O5S/c1-3-27-17(24)11-28-15-9-6-13(10-16(15)29-2)18(20(25)26)23-14-7-4-12(5-8-14)19(21)22/h4-10,18,23H,3,11H2,1-2H3,(H3,21,22)(H,25,26)