3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzothiophen-2-yl)-2-[2-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanoic acid CAS Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[2-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzothiophen-2-yl)-2-[2-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoic acid Traditional Name: 2-[2-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(5-amidinobenzothiophen-2-yl)propionic acid Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=CC=C2C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=CC=C2C(CC3=CC4=C(S3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H28N4O3S/c1-15(26)29-10-8-18(9-11-29)32-22-5-3-2-4-20(22)21(25(30)31)14-19-13-17-12-16(24(27)28)6-7-23(17)33-19/h2-7,12-13,18,21,26H,8-11,14H2,1H3,(H3,27,28)(H,30,31)