methyl 3-(3-carbamimidoylphenyl)-5-[(thiophen-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[(thiophen-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(thiophene-2-carbonylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[oxo(thiophen-2-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(thiophene-2-carbonylamino)methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(2-thenoylamino)methyl]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O3S/c1-27-21(26)17-9-13(12-24-20(25)18-6-3-7-28-18)8-16(11-17)14-4-2-5-15(10-14)19(22)23/h2-11H,12H2,1H3,(H3,22,23)(H,24,25)