ethyl 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoate

Systemtic Name: ethyl 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoate Openeye Name: ethyl 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]benzothiophen-3-yl]butanoate CAS Name: 4-[2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-1-benzothiophen-3-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoate Traditional Name: 4-[2-[5-(4-amidinophenyl)pentanoylamino]benzothiophen-3-yl]butyric acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(SC2=CC=CC=C21)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCCC1=C(SC2=CC=CC=C21)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H31N3O3S/c1-2-32-24(31)13-7-10-21-20-9-4-5-11-22(20)33-26(21)29-23(30)12-6-3-8-18-14-16-19(17-15-18)25(27)28/h4-5,9,11,14-17H,2-3,6-8,10,12-13H2,1H3,(H3,27,28)(H,29,30)