2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-5-phenyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-5-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-[[(E)-4-methyl-3-oxo-pent-1-enyl]amino]-5-phenyl-thiophene-3-carboxylic acid CAS Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-phenylthiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-keto-4-methyl-pent-1-enyl]amino]-5-phenyl-3-thenoic acid Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C=CNC1=C(C=C(S1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)/C=C/NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO3S/c1-11(2)14(19)8-9-18-16-13(17(20)21)10-15(22-16)12-6-4-3-5-7-12/h3-11,18H,1-2H3,(H,20,21)/b9-8+