[4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2,2-dimethyl-3-phenyl-propanoate

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2,2-dimethyl-3-phenyl-propanoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2,2-dimethyl-3-phenyl-propanoate CAS Name: 2,2-dimethyl-3-phenylpropanoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2,2-dimethyl-3-phenylpropanoate Traditional Name: 2,2-dimethyl-3-phenyl-propionic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(=O)OCCCC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(=O)OCCCC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C23H29NO4S/c1-23(2,15-17-8-5-4-6-9-17)22(26)28-13-7-10-21(29)24-16-18-11-12-19(25)20(14-18)27-3/h4-6,8-9,11-12,14,25H,7,10,13,15-16H2,1-3H3,(H,24,29)