tert-butyl 2-[4-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamimidoylbenzothiophene-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-1-benzothiophen-2-yl)-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(5-amidinobenzothiophene-2-carbonyl)amino]phenoxy]acetic acid tert-butyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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