[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H22N2O4S/c1-14-8-9-16(15(2)10-14)11-23(3)19(24)12-26-20(25)13-28-21-22-17-6-4-5-7-18(17)27-21/h4-10H,11-13H2,1-3H3