2-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 3-[(3-cyano-5-methyl-4-phenyl-2-thienyl)carbamoyl]norbornane-2-carboxylic acid CAS Name: 2-[[(3-cyano-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-3-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: 2-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 3-[(3-cyano-5-methyl-4-phenyl-2-thienyl)carbamoyl]norbornane-2-carboxylic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2C3CCC(C3)C2C(=O)O)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O3S/c1-11-16(12-5-3-2-4-6-12)15(10-22)20(27-11)23-19(24)17-13-7-8-14(9-13)18(17)21(25)26/h2-6,13-14,17-18H,7-9H2,1H3,(H,23,24)(H,25,26)