2-[butyl(thiophen-2-ylmethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[butyl(thiophen-2-ylmethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[butyl(2-thienylmethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[butyl(thiophen-2-ylmethyl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[butyl(thiophen-2-ylmethyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[butyl(2-thenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CCCCN(CC1=CC=CS1)C(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C18H23NO3S/c1-2-3-8-19(11-14-5-4-9-23-14)17(20)15-12-6-7-13(10-12)16(15)18(21)22/h4-7,9,12-13,15-16H,2-3,8,10-11H2,1H3,(H,21,22)