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

Systemtic Name: 4-[2-[2-(1-benzothiophen-3-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid Openeye Name: 4-[2-[2-(benzothiophen-3-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid CAS Name: 4-[2-[[2-(1-benzothiophen-3-yl)-1-oxopropyl]amino]-4-isocyanophenyl]butanoic acid IUPAC Name: 4-[2-[2-(1-benzothiophen-3-yl)propanoylamino]-4-isocyanophenyl]butanoic acid Traditional Name: 4-[2-[2-(benzothiophen-3-yl)propanoylamino]-4-isocyano-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)[N+]#[C-])CCCC(=O)O

Isomeric SMILES

CC(C1=CSC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

InChI

InChI=1S/C22H20N2O3S/c1-14(18-13-28-20-8-4-3-7-17(18)20)22(27)24-19-12-16(23-2)11-10-15(19)6-5-9-21(25)26/h3-4,7-8,10-14H,5-6,9H2,1H3,(H,24,27)(H,25,26)