[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H23N3O3S/c23-14-17-11-13-29-21(17)25-20(26)15-28-22(27)18-8-4-5-9-19(18)24-12-10-16-6-2-1-3-7-16/h4-6,8-9,11,13,24H,1-3,7,10,12,15H2,(H,25,26)