2-[(4-carbamimidoylphenyl)amino]-2-(3-ethylsulfinylphenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethylsulfinylphenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethylsulfinylphenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethylsulfinylphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethylsulfinylphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethylsulfinylphenyl)acetic acid Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCS(=O)C1=CC=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H19N3O3S/c1-2-24(23)14-5-3-4-12(10-14)15(17(21)22)20-13-8-6-11(7-9-13)16(18)19/h3-10,15,20H,2H2,1H3,(H3,18,19)(H,21,22)