[2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[bis(4-methoxyphenyl)methylamino]-2-keto-ethyl] ester Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C25H24ClNO5S/c1-30-18-8-4-16(5-9-18)24(17-6-10-19(31-2)11-7-17)27-23(28)15-32-25(29)21-14-20(33-3)12-13-22(21)26/h4-14,24H,15H2,1-3H3,(H,27,28)