2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide; 2-oxidanylpropanoic acid

Systemtic Name: 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide; 2-oxidanylpropanoic acid Openeye Name: 2-(4-carbamimidoylphenyl)benzothiophene-6-carboxamidine; 2-hydroxypropanoic acid CAS Name: 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide; 2-hydroxypropanoic acid IUPAC Name: 2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide; 2-hydroxypropanoic acid Traditional Name: 2-(4-amidinophenyl)benzothiophene-6-carboxamidine; lactic acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)O.CC(C(=O)O)O.C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

CC(C(=O)O)O.CC(C(=O)O)O.C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C16H14N4S.2C3H6O3/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13;2*1-2(4)3(5)6/h1-8H,(H3,17,18)(H3,19,20);2*2,4H,1H3,(H,5,6)