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

Systemtic Name: ethyl 2-[[2-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[2-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]acetate CAS Name: 2-[[[2-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]carbamoylamino]acetate Traditional Name: 2-[[2-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]acetic acid ethyl ester Formula: C24H26N4O5S3 MolecularWeight: 546.68204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5S3/c1-4-33-20(29)13-27-24(30)28-17-10-5-7-14(2)21(17)15-8-6-9-16(11-15)36(31,32)19-12-18(22(25)26)35-23(19)34-3/h5-12H,4,13H2,1-3H3,(H3,25,26)(H2,27,28,30)