ethyl 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methoxy]phenyl]propanoate

Systemtic Name: ethyl 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]methoxy]phenyl]propanoate Openeye Name: ethyl 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]propanoate CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[(2S)-5-oxo-2-pyrrolidinyl]methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[4-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]phenyl]propanoate Traditional Name: 3-(5-amidinobenzothiophen-2-yl)-2-[4-[[(2S)-5-ketopyrrolidin-2-yl]methoxy]phenyl]propionic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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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)OCC4CCC(=O)N4

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)OC[C@@H]4CCC(=O)N4

InChI

InChI=1S/C25H27N3O4S/c1-2-31-25(30)21(13-20-12-17-11-16(24(26)27)5-9-22(17)33-20)15-3-7-19(8-4-15)32-14-18-6-10-23(29)28-18/h3-5,7-9,11-12,18,21H,2,6,10,13-14H2,1H3,(H3,26,27)(H,28,29)/t18-,21?/m0/s1