3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]-2-thenoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-8-10(9(2)17(3)16-8)4-5-12(18)15-11-6-7-21-13(11)14(19)20/h4-7H,1-3H3,(H,15,18)(H,19,20)/b5-4+