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

Systemtic Name: [4-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-4-sulfanylidene-butyl] 2-[(3,4-dimethylphenyl)methyl]-3,4-dimethyl-benzoate Openeye Name: [4-[(4-hydroxy-3-methoxy-phenyl)methylamino]-4-thioxo-butyl] 2-[(3,4-dimethylphenyl)methyl]-3,4-dimethyl-benzoate CAS Name: 2-[(3,4-dimethylphenyl)methyl]-3,4-dimethylbenzoic acid [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] ester IUPAC Name: [4-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-sulfanylidenebutyl] 2-[(3,4-dimethylphenyl)methyl]-3,4-dimethylbenzoate Traditional Name: 2-(3,4-dimethylbenzyl)-3,4-dimethyl-benzoic acid [4-thioxo-4-(vanillylamino)butyl] ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2=C(C=CC(=C2C)C)C(=O)OCCCC(=S)NCC3=CC(=C(C=C3)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC2=C(C=CC(=C2C)C)C(=O)OCCCC(=S)NCC3=CC(=C(C=C3)O)OC)C

InChI

InChI=1S/C30H35NO4S/c1-19-8-10-23(15-21(19)3)16-26-22(4)20(2)9-12-25(26)30(33)35-14-6-7-29(36)31-18-24-11-13-27(32)28(17-24)34-5/h8-13,15,17,32H,6-7,14,16,18H2,1-5H3,(H,31,36)