ethyl (2S)-2-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[5-anilino-2-(isopropylamino)phenyl]sulfanylpropanoate CAS Name: (2S)-2-[[5-anilino-2-(propan-2-ylamino)phenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[5-anilino-2-(propan-2-ylamino)phenyl]sulfanylpropanoate Traditional Name: (2S)-2-[[5-anilino-2-(isopropylamino)phenyl]thio]propionic acid ethyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)C

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)C

InChI

InChI=1S/C20H26N2O2S/c1-5-24-20(23)15(4)25-19-13-17(11-12-18(19)21-14(2)3)22-16-9-7-6-8-10-16/h6-15,21-22H,5H2,1-4H3/t15-/m0/s1