4-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylanilino]-4-oxobutanoic acid Traditional Name: 4-[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-anilino]-4-keto-butyric acid Formula: C23H23N3O5S3 MolecularWeight: 517.64082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CCC(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CCC(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C23H23N3O5S3/c1-13-5-3-8-16(26-19(27)9-10-20(28)29)21(13)14-6-4-7-15(11-14)34(30,31)18-12-17(22(24)25)33-23(18)32-2/h3-8,11-12H,9-10H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)