1-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate

Systemtic Name: 1-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylate Openeye Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]cycloheptanecarboxylate CAS Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]-1-cycloheptanecarboxylate IUPAC Name: 1-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylate Traditional Name: 1-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]cycloheptanecarboxylate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2(CCCCCC2)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2(CCCCCC2)C(=O)[O-])C

InChI

InChI=1S/C17H22N2O3S/c1-11-12(2)23-15(13(11)10-18)19-14(20)9-17(16(21)22)7-5-3-4-6-8-17/h3-9H2,1-2H3,(H,19,20)(H,21,22)/p-1