[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=C(C=C2)SC)OCC

InChI

InChI=1S/C22H27NO5S/c1-5-26-19-12-9-17(13-20(19)27-6-2)22(25)28-15-21(24)23(3)14-16-7-10-18(29-4)11-8-16/h7-13H,5-6,14-15H2,1-4H3