2-[4-(3-methoxy-3-methyl-cyclohexyl)-1,3-thiazolidin-2-yl]-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile

Systemtic Name: 2-[4-(3-methoxy-3-methyl-cyclohexyl)-1,3-thiazolidin-2-yl]-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile Openeye Name: 2-[4-(3-methoxy-3-methyl-cyclohexyl)thiazolidin-2-yl]-3-(4-methyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: 2-[4-(3-methoxy-3-methylcyclohexyl)-2-thiazolidinyl]-3-(4-methyl-3-nitrophenyl)-2-propenenitrile IUPAC Name: 2-[4-(3-methoxy-3-methylcyclohexyl)-1,3-thiazolidin-2-yl]-3-(4-methyl-3-nitrophenyl)prop-2-enenitrile Traditional Name: 2-[4-(3-methoxy-3-methyl-cyclohexyl)thiazolidin-2-yl]-3-(4-methyl-3-nitro-phenyl)acrylonitrile Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C2NC(CS2)C3CCCC(C3)(C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C(C#N)C2NC(CS2)C3CCCC(C3)(C)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3S/c1-14-6-7-15(10-19(14)24(25)26)9-17(12-22)20-23-18(13-28-20)16-5-4-8-21(2,11-16)27-3/h6-7,9-10,16,18,20,23H,4-5,8,11,13H2,1-3H3