naphthalen-2-yl 5-[[(2-carbamimidoylphenyl)methoxycarbonylamino]methyl]thiophene-2-carboxylate

Systemtic Name: naphthalen-2-yl 5-[[(2-carbamimidoylphenyl)methoxycarbonylamino]methyl]thiophene-2-carboxylate Openeye Name: 2-naphthyl 5-[[(2-carbamimidoylphenyl)methoxycarbonylamino]methyl]thiophene-2-carboxylate CAS Name: 5-[[[(2-carbamimidoylphenyl)methoxy-oxomethyl]amino]methyl]-2-thiophenecarboxylic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 5-[[(2-carbamimidoylphenyl)methoxycarbonylamino]methyl]thiophene-2-carboxylate Traditional Name: 5-[[(2-amidinobenzyl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid 2-naphthyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=C(S3)CNC(=O)OCC4=CC=CC=C4C(=N)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=C(S3)CNC(=O)OCC4=CC=CC=C4C(=N)N

InChI

InChI=1S/C25H21N3O4S/c26-23(27)21-8-4-3-7-18(21)15-31-25(30)28-14-20-11-12-22(33-20)24(29)32-19-10-9-16-5-1-2-6-17(16)13-19/h1-13H,14-15H2,(H3,26,27)(H,28,30)