2-(carboxycarbamoyl)-3-phenyl-cyclohexene-1-carboxylic acid; 2-chloranylthiophene

Systemtic Name: 2-(carboxycarbamoyl)-3-phenyl-cyclohexene-1-carboxylic acid; 2-chloranylthiophene Openeye Name: 2-(carboxycarbamoyl)-3-phenyl-cyclohexene-1-carboxylic acid; 2-chlorothiophene CAS Name: 2-[(carboxyamino)-oxomethyl]-3-phenyl-1-cyclohexenecarboxylic acid; 2-chlorothiophene IUPAC Name: 2-(carboxycarbamoyl)-3-phenylcyclohexene-1-carboxylic acid; 2-chlorothiophene Traditional Name: 2-(carboxycarbamoyl)-3-phenyl-cyclohexene-1-carboxylic acid; 2-chlorothiophene Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C(C1)C(=O)O)C(=O)NC(=O)O)C2=CC=CC=C2.C1=CSC(=C1)Cl

Isomeric SMILES

C1CC(C(=C(C1)C(=O)O)C(=O)NC(=O)O)C2=CC=CC=C2.C1=CSC(=C1)Cl

InChI

InChI=1S/C15H15NO5.C4H3ClS/c17-13(16-15(20)21)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(18)19;5-4-2-1-3-6-4/h1-3,5-6,10H,4,7-8H2,(H,16,17)(H,18,19)(H,20,21);1-3H