ethyl 6-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]hexanoate

Systemtic Name: ethyl 6-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoate CAS Name: 6-[[[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]carbamoylamino]hexanoate Traditional Name: 6-[[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C28H34N4O5S3 MolecularWeight: 602.78836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)NC1=CC=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)NC1=CC=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C

InChI

InChI=1S/C28H34N4O5S3/c1-4-37-24(33)14-6-5-7-15-31-28(34)32-21-13-8-10-18(2)25(21)19-11-9-12-20(16-19)40(35,36)23-17-22(26(29)30)39-27(23)38-3/h8-13,16-17H,4-7,14-15H2,1-3H3,(H3,29,30)(H2,31,32,34)