3-[1-oxidanylhexyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[1-oxidanylhexyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl(1-hydroxyhexyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[1-hydroxyhexyl(prop-2-enyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[1-hydroxyhexyl(prop-2-enyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl(1-hydroxyhexyl)amino]-5-phenyl-2-thenoic acid Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N(CC=C)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CCCCCC(N(CC=C)C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C20H25NO3S/c1-3-5-7-12-18(22)21(13-4-2)16-14-17(25-19(16)20(23)24)15-10-8-6-9-11-15/h4,6,8-11,14,18,22H,2-3,5,7,12-13H2,1H3,(H,23,24)