3-[4-methylpentanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[4-methylpentanoyl(prop-2-enyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl(4-methylpentanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(4-methyl-1-oxopentyl)-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[4-methylpentanoyl(prop-2-enyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl(4-methylpentanoyl)amino]-5-phenyl-2-thenoic acid Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-4-12-21(18(22)11-10-14(2)3)16-13-17(25-19(16)20(23)24)15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3,(H,23,24)