4-(2-azanyl-1-benzothiophen-3-yl)butanoyl 5-(4-carbamimidoylphenyl)pentanoate

Systemtic Name: 4-(2-azanyl-1-benzothiophen-3-yl)butanoyl 5-(4-carbamimidoylphenyl)pentanoate Openeye Name: 4-(2-aminobenzothiophen-3-yl)butanoyl 5-(4-carbamimidoylphenyl)pentanoate CAS Name: 5-(4-carbamimidoylphenyl)pentanoic acid [4-(2-amino-1-benzothiophen-3-yl)-1-oxobutyl] ester IUPAC Name: 4-(2-amino-1-benzothiophen-3-yl)butanoyl 5-(4-carbamimidoylphenyl)pentanoate Traditional Name: 5-(4-amidinophenyl)valeric acid 4-(2-aminobenzothiophen-3-yl)butanoyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)N)CCCC(=O)OC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)N)CCCC(=O)OC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H27N3O3S/c25-23(26)17-14-12-16(13-15-17)6-1-4-10-21(28)30-22(29)11-5-8-19-18-7-2-3-9-20(18)31-24(19)27/h2-3,7,9,12-15H,1,4-6,8,10-11,27H2,(H3,25,26)