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

Systemtic Name: 4-methyl-2-[[(E)-4-methyl-3-oxidanylidene-pent-1-enyl]amino]-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-[[(E)-4-methyl-3-oxo-pent-1-enyl]amino]-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-[[(E)-4-methyl-3-oxopent-1-enyl]amino]-5-[4-(2-methylpropanoylamino)phenyl]thiophene-3-carboxylic acid Traditional Name: 5-[4-(isobutyrylamino)phenyl]-2-[[(E)-3-keto-4-methyl-pent-1-enyl]amino]-4-methyl-3-thenoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC=CC(=O)C(C)C)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)N/C=C/C(=O)C(C)C)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H26N2O4S/c1-12(2)17(25)10-11-23-21-18(22(27)28)14(5)19(29-21)15-6-8-16(9-7-15)24-20(26)13(3)4/h6-13,23H,1-5H3,(H,24,26)(H,27,28)/b11-10+