ethyl 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(C-phenylcarbonimidoyl)pyrrolidin-3-yl]oxyphenyl]propanoate

Systemtic Name: ethyl 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[1-(C-phenylcarbonimidoyl)pyrrolidin-3-yl]oxyphenyl]propanoate Openeye Name: ethyl 2-[4-[1-(benzenecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]-3-(5-carbamimidoylbenzothiophen-2-yl)propanoate CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[1-[imino(phenyl)methyl]-3-pyrrolidinyl]oxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(benzenecarboximidoyl)pyrrolidin-3-yl]oxyphenyl]-3-(5-carbamimidoyl-1-benzothiophen-2-yl)propanoate Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-(1-benzimidoylpyrrolidin-3-yl)oxyphenyl]propionic acid ethyl ester Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C(=N)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC4CCN(C4)C(=N)C5=CC=CC=C5

InChI

InChI=1S/C31H32N4O3S/c1-2-37-31(36)27(18-26-17-23-16-22(29(32)33)10-13-28(23)39-26)20-8-11-24(12-9-20)38-25-14-15-35(19-25)30(34)21-6-4-3-5-7-21/h3-13,16-17,25,27,34H,2,14-15,18-19H2,1H3,(H3,32,33)