[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=C(C2=CC=CC=C2S1)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=C(C2=CC=CC=C2S1)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C21H21ClN2O3S/c1-24(21(14-23)11-5-2-6-12-21)18(25)13-27-19(26)10-9-17-20(22)15-7-3-4-8-16(15)28-17/h3-4,7-10H,2,5-6,11-13H2,1H3/b10-9+