[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C21H29NO3S2/c1-15(19(23)22-14-16-6-3-2-4-7-16)25-20(24)17-8-10-18(11-9-17)21-26-12-5-13-27-21/h8-11,15-16,21H,2-7,12-14H2,1H3,(H,22,23)