ethyl (2S)-2-azanyl-2-[3-[5-(1,3-dithian-2-yl)-2-methoxy-phenoxy]-5-methoxy-phenyl]ethanoate

Systemtic Name: ethyl (2S)-2-azanyl-2-[3-[5-(1,3-dithian-2-yl)-2-methoxy-phenoxy]-5-methoxy-phenyl]ethanoate Openeye Name: ethyl (2S)-2-amino-2-[3-[5-(1,3-dithian-2-yl)-2-methoxy-phenoxy]-5-methoxy-phenyl]acetate CAS Name: (2S)-2-amino-2-[3-[5-(1,3-dithian-2-yl)-2-methoxyphenoxy]-5-methoxyphenyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-2-[3-[5-(1,3-dithian-2-yl)-2-methoxyphenoxy]-5-methoxyphenyl]acetate Traditional Name: (2S)-2-amino-2-[3-[5-(1,3-dithian-2-yl)-2-methoxy-phenoxy]-5-methoxy-phenyl]acetic acid ethyl ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=CC(=C1)OC)OC2=C(C=CC(=C2)C3SCCCS3)OC)N

Isomeric SMILES

CCOC(=O)[C@H](C1=CC(=CC(=C1)OC)OC2=C(C=CC(=C2)C3SCCCS3)OC)N

InChI

InChI=1S/C22H27NO5S2/c1-4-27-21(24)20(23)15-10-16(25-2)13-17(11-15)28-19-12-14(6-7-18(19)26-3)22-29-8-5-9-30-22/h6-7,10-13,20,22H,4-5,8-9,23H2,1-3H3/t20-/m0/s1