ethyl 4-azanyl-3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-azanyl-3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-amino-3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]-4-oxo-butanoate CAS Name: 4-amino-3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-6-benzofuranyl]-(8-quinolinylsulfonyl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-3-methyl-1-benzofuran-6-yl]-quinolin-8-ylsulfonylamino]-4-oxobutanoate Traditional Name: 3-[[2-[2-(4-amidinophenyl)ethyl]-3-methyl-benzofuran-6-yl]-(8-quinolylsulfonyl)amino]-4-amino-4-keto-butyric acid ethyl ester Formula: C33H33N5O6S MolecularWeight: 627.71002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)N)N(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCOC(=O)CC(C(=O)N)N(C1=CC2=C(C=C1)C(=C(O2)CCC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C33H33N5O6S/c1-3-43-30(39)19-26(33(36)40)38(45(41,42)29-8-4-6-22-7-5-17-37-31(22)29)24-14-15-25-20(2)27(44-28(25)18-24)16-11-21-9-12-23(13-10-21)32(34)35/h4-10,12-15,17-18,26H,3,11,16,19H2,1-2H3,(H3,34,35)(H2,36,40)