(E)-3-(5-isoquinolin-5-ylthiophen-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-isoquinolin-5-ylthiophen-2-yl)prop-2-enoic acid Openeye Name: (E)-3-[5-(5-isoquinolyl)-2-thienyl]prop-2-enoic acid CAS Name: (E)-3-[5-(5-isoquinolinyl)-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-isoquinolin-5-ylthiophen-2-yl)prop-2-enoic acid Traditional Name: (E)-3-[5-(5-isoquinolyl)-2-thienyl]acrylic acid Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(S3)C=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(S3)/C=C/C(=O)O

InChI

InChI=1S/C16H11NO2S/c18-16(19)7-5-12-4-6-15(20-12)14-3-1-2-11-10-17-9-8-13(11)14/h1-10H,(H,18,19)/b7-5+