5-chloranyl-2-(2-cyanoethanoylamino)-4-(2-phenylcyclopropyl)thiophene-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-cyanoethanoylamino)-4-(2-phenylcyclopropyl)thiophene-3-carboxylic acid Openeye Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-(2-phenylcyclopropyl)thiophene-3-carboxylic acid CAS Name: 5-chloro-2-[(2-cyano-1-oxoethyl)amino]-4-(2-phenylcyclopropyl)-3-thiophenecarboxylic acid IUPAC Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-(2-phenylcyclopropyl)thiophene-3-carboxylic acid Traditional Name: 5-chloro-2-[(2-cyanoacetyl)amino]-4-(2-phenylcyclopropyl)-3-thenoic acid Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)C3=CC=CC=C3

Isomeric SMILES

C1C(C1C2=C(SC(=C2C(=O)O)NC(=O)CC#N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H13ClN2O3S/c18-15-13(11-8-10(11)9-4-2-1-3-5-9)14(17(22)23)16(24-15)20-12(21)6-7-19/h1-5,10-11H,6,8H2,(H,20,21)(H,22,23)