ethyl 6-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]hexanoate

Systemtic Name: ethyl 6-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]hexanoate Openeye Name: ethyl 6-[[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoate CAS Name: 6-[[[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]carbamoylamino]hexanoate Traditional Name: 6-[[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoic acid ethyl ester Formula: C28H34N4O5S3 MolecularWeight: 602.78836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C

Isomeric SMILES

CCOC(=O)CCCCCNC(=O)NC1=CC(=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C

InChI

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