(2-aminophenyl)sulfanyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methyl]-2-oxidanyl-butanoate

Systemtic Name: (2-aminophenyl)sulfanyl 3-(dimethylamino)-2-[(4-methoxyphenyl)methyl]-2-oxidanyl-butanoate Openeye Name: (2-aminophenyl)sulfanyl 3-(dimethylamino)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoate CAS Name: 3-(dimethylamino)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid [(2-aminophenyl)thio] ester IUPAC Name: (2-aminophenyl)sulfanyl 3-(dimethylamino)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoate Traditional Name: 3-(dimethylamino)-2-hydroxy-2-p-anisyl-butyric acid [(2-aminophenyl)thio] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(C=C1)OC)(C(=O)OSC2=CC=CC=C2N)O)N(C)C

Isomeric SMILES

CC(C(CC1=CC=C(C=C1)OC)(C(=O)OSC2=CC=CC=C2N)O)N(C)C

InChI

InChI=1S/C20H26N2O4S/c1-14(22(2)3)20(24,13-15-9-11-16(25-4)12-10-15)19(23)26-27-18-8-6-5-7-17(18)21/h5-12,14,24H,13,21H2,1-4H3