7-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]heptanoic acid

Systemtic Name: 7-[(5-carbamimidoyl-1-benzothiophen-2-yl)carbonylamino]heptanoic acid Openeye Name: 7-[(5-carbamimidoylbenzothiophene-2-carbonyl)amino]heptanoic acid CAS Name: 7-[[(5-carbamimidoyl-1-benzothiophen-2-yl)-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(5-carbamimidoyl-1-benzothiophene-2-carbonyl)amino]heptanoic acid Traditional Name: 7-[(5-amidinobenzothiophene-2-carbonyl)amino]enanthic acid Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(S2)C(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(S2)C(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C17H21N3O3S/c18-16(19)11-6-7-13-12(9-11)10-14(24-13)17(23)20-8-4-2-1-3-5-15(21)22/h6-7,9-10H,1-5,8H2,(H3,18,19)(H,20,23)(H,21,22)