(Z)-3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]but-2-enoic acid

Systemtic Name: (Z)-3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]but-2-enoic acid Openeye Name: (Z)-3-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]but-2-enoic acid CAS Name: (Z)-3-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-2-butenoic acid IUPAC Name: (Z)-3-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]but-2-enoic acid Traditional Name: (Z)-3-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]but-2-enoic acid Formula: C16H16N2O4S3 MolecularWeight: 396.50424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC(=CC=C1)S(=O)(=O)C2=C(SC(=C2)C(=N)N)SC

InChI

InChI=1S/C16H16N2O4S3/c1-9(6-14(19)20)10-4-3-5-11(7-10)25(21,22)13-8-12(15(17)18)24-16(13)23-2/h3-8H,1-2H3,(H3,17,18)(H,19,20)/b9-6-