tert-butyl 2-[4-[(6-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(6-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(6-carbamimidoylbenzothiophene-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[(6-carbamimidoyl-1-benzothiophen-2-yl)-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(6-carbamimidoyl-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(6-amidinobenzothiophene-2-carbonyl)amino]phenoxy]acetic acid tert-butyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O4S/c1-22(2,3)29-19(26)12-28-16-8-6-15(7-9-16)25-21(27)18-10-13-4-5-14(20(23)24)11-17(13)30-18/h4-11H,12H2,1-3H3,(H3,23,24)(H,25,27)