2-[carbamimidoyl(furan-3-ylmethyl)amino]-4-chloranyl-5-methylsulfinyl-benzoic acid

Systemtic Name: 2-[carbamimidoyl(furan-3-ylmethyl)amino]-4-chloranyl-5-methylsulfinyl-benzoic acid Openeye Name: 2-[carbamimidoyl(3-furylmethyl)amino]-4-chloro-5-methylsulfinyl-benzoic acid CAS Name: 2-[carbamimidoyl(3-furanylmethyl)amino]-4-chloro-5-methylsulfinylbenzoic acid IUPAC Name: 2-[carbamimidoyl(furan-3-ylmethyl)amino]-4-chloro-5-methylsulfinylbenzoic acid Traditional Name: 2-[amidino(3-furfuryl)amino]-4-chloro-5-methylsulfinyl-benzoic acid Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=C(C(=C1)C(=O)O)N(CC2=COC=C2)C(=N)N)Cl

Isomeric SMILES

CS(=O)C1=C(C=C(C(=C1)C(=O)O)N(CC2=COC=C2)C(=N)N)Cl

InChI

InChI=1S/C14H14ClN3O4S/c1-23(21)12-4-9(13(19)20)11(5-10(12)15)18(14(16)17)6-8-2-3-22-7-8/h2-5,7H,6H2,1H3,(H3,16,17)(H,19,20)