4-[2-[2-(1-benzothiophen-3-yl)propanoylamino]-4-cyano-phenyl]butanoic acid

Systemtic Name: 4-[2-[2-(1-benzothiophen-3-yl)propanoylamino]-4-cyano-phenyl]butanoic acid Openeye Name: 4-[2-[2-(benzothiophen-3-yl)propanoylamino]-4-cyano-phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-benzothiophen-3-yl)-1-oxopropyl]amino]-4-cyanophenyl]butanoic acid IUPAC Name: 4-[2-[2-(1-benzothiophen-3-yl)propanoylamino]-4-cyanophenyl]butanoic acid Traditional Name: 4-[2-[2-(benzothiophen-3-yl)propanoylamino]-4-cyano-phenyl]butyric acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=CSC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C22H20N2O3S/c1-14(18-13-28-20-7-3-2-6-17(18)20)22(27)24-19-11-15(12-23)9-10-16(19)5-4-8-21(25)26/h2-3,6-7,9-11,13-14H,4-5,8H2,1H3,(H,24,27)(H,25,26)