[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C23H27NO3S2 MolecularWeight: 429.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C23H27NO3S2/c1-16(2)21(17-7-4-3-5-8-17)24-20(25)15-27-22(26)18-9-11-19(12-10-18)23-28-13-6-14-29-23/h3-5,7-12,16,21,23H,6,13-15H2,1-2H3,(H,24,25)