ethyl 3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoate

Systemtic Name: ethyl 3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-oxidanyl-propanoate Openeye Name: ethyl 3-(2-amino-5-phenoxy-phenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propanoate CAS Name: 3-[(2-amino-5-phenoxyphenyl)thio]-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-5-phenoxyphenyl)sulfanyl-3-(1,3-benzodioxol-5-yl)-2-hydroxypropanoate Traditional Name: 3-[(2-amino-5-phenoxy-phenyl)thio]-3-(1,3-benzodioxol-5-yl)-2-hydroxy-propionic acid ethyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)SC3=C(C=CC(=C3)OC4=CC=CC=C4)N)O

Isomeric SMILES

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)SC3=C(C=CC(=C3)OC4=CC=CC=C4)N)O

InChI

InChI=1S/C24H23NO6S/c1-2-28-24(27)22(26)23(15-8-11-19-20(12-15)30-14-29-19)32-21-13-17(9-10-18(21)25)31-16-6-4-3-5-7-16/h3-13,22-23,26H,2,14,25H2,1H3