1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=C(C=CS2)C#N)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=C(C=CS2)C#N)C(=O)O

InChI

InChI=1S/C15H18N2O3S/c16-10-11-5-8-21-13(11)17-12(18)9-15(14(19)20)6-3-1-2-4-7-15/h5,8H,1-4,6-7,9H2,(H,17,18)(H,19,20)