2-[4-[(6-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]cyclohexyl]oxyethanoic acid

Systemtic Name: 2-[4-[(6-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]cyclohexyl]oxyethanoic acid Openeye Name: 2-[4-[(6-carbamimidoylbenzothiophene-2-carbonyl)amino]cyclohexoxy]acetic acid CAS Name: 2-[4-[[(6-carbamimidoyl-1-benzothiophen-2-yl)-oxomethyl]amino]cyclohexyl]oxyacetic acid IUPAC Name: 2-[4-[(6-carbamimidoyl-1-benzothiophene-2-carbonyl)amino]cyclohexyl]oxyacetic acid Traditional Name: 2-[4-[(6-amidinobenzothiophene-2-carbonyl)amino]cyclohexoxy]acetic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=N)N)OCC(=O)O

Isomeric SMILES

C1CC(CCC1NC(=O)C2=CC3=C(S2)C=C(C=C3)C(=N)N)OCC(=O)O

InChI

InChI=1S/C18H21N3O4S/c19-17(20)11-2-1-10-7-15(26-14(10)8-11)18(24)21-12-3-5-13(6-4-12)25-9-16(22)23/h1-2,7-8,12-13H,3-6,9H2,(H3,19,20)(H,21,24)(H,22,23)