[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C21H26N2O4S/c1-4-26-18-9-11-19(12-10-18)28-15-21(25)27-14-20(24)22-13-16-5-7-17(8-6-16)23(2)3/h5-12H,4,13-15H2,1-3H3,(H,22,24)