3-methoxy-2-prop-2-enoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]aniline

Systemtic Name: 3-methoxy-2-prop-2-enoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]aniline Openeye Name: 2-allyloxy-3-methoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]aniline CAS Name: 3-methoxy-2-prop-2-enoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]aniline IUPAC Name: 3-methoxy-2-prop-2-enoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]aniline Traditional Name: [2-allyloxy-3-methoxy-5-[(2S,4S)-4-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-2-yl]phenyl]amine Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CSC(S2)C3=CC(=C(C(=C3)OC)OCC=C)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2CS[C@@H](S2)C3=CC(=C(C(=C3)OC)OCC=C)N

InChI

InChI=1S/C22H27NO5S2/c1-6-7-28-20-15(23)8-14(11-16(20)24-2)22-29-12-19(30-22)13-9-17(25-3)21(27-5)18(10-13)26-4/h6,8-11,19,22H,1,7,12,23H2,2-5H3/t19-,22+/m1/s1