3-[2-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-5-methoxy-3-methyl-anilino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-5-methoxy-3-methylanilino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-5-methoxy-3-methylanilino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-5-methoxy-3-methyl-anilino]-2-keto-ethyl]thio]propionic acid Formula: C25H27N3O6S4 MolecularWeight: 593.75838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)CSCCC(=O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)NC(=O)CSCCC(=O)O)OC

InChI

InChI=1S/C25H27N3O6S4/c1-14-9-16(34-2)11-18(28-21(29)13-36-8-7-22(30)31)23(14)15-5-4-6-17(10-15)38(32,33)20-12-19(24(26)27)37-25(20)35-3/h4-6,9-12H,7-8,13H2,1-3H3,(H3,26,27)(H,28,29)(H,30,31)