4-chloranyl-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-chloranyl-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-chloro-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-chloro-6-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-chloro-6-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-chloro-6-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=CCC3C(=O)O)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=CCC3C(=O)O)Cl)C#N

InChI

InChI=1S/C17H17ClN2O3S/c18-9-5-6-11(17(22)23)12(7-9)15(21)20-16-13(8-19)10-3-1-2-4-14(10)24-16/h5,11-12H,1-4,6-7H2,(H,20,21)(H,22,23)