(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]benzothiophen-3-yl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-1-benzothiophen-3-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzothiophen-3-yl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]benzothiophen-3-yl]benzoic acid benzyl ester Formula: C30H23N3O3S MolecularWeight: 505.58692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C3=C(SC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C3=C(SC4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H23N3O3S/c31-28(32)20-14-16-21(17-15-20)33-29(34)27-26(24-12-6-7-13-25(24)37-27)22-10-4-5-11-23(22)30(35)36-18-19-8-2-1-3-9-19/h1-17H,18H2,(H3,31,32)(H,33,34)