4-[5-(7-propyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[5-(7-propyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid Openeye Name: 4-[5-(7-propylbenzothiophen-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid CAS Name: 4-[5-(7-propyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[5-(7-propyl-1-benzothiophen-2-yl)-1H-pyrrol-2-yl]naphthalene-1-carboxylic acid Traditional Name: 4-[5-(7-propylbenzothiophen-2-yl)-1H-pyrrol-2-yl]-1-naphthoic acid Formula: C26H21NO2S MolecularWeight: 411.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C5=CC=CC=C54)C(=O)O

Isomeric SMILES

CCCC1=CC=CC2=C1SC(=C2)C3=CC=C(N3)C4=CC=C(C5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H21NO2S/c1-2-6-16-7-5-8-17-15-24(30-25(16)17)23-14-13-22(27-23)20-11-12-21(26(28)29)19-10-4-3-9-18(19)20/h3-5,7-15,27H,2,6H2,1H3,(H,28,29)