methyl 3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[5-anilino-2-(isopropylamino)phenyl]sulfanylpropanoate CAS Name: 3-[[5-anilino-2-(propan-2-ylamino)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[5-anilino-2-(propan-2-ylamino)phenyl]sulfanylpropanoate Traditional Name: 3-[[5-anilino-2-(isopropylamino)phenyl]thio]propionic acid methyl ester Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

InChI

InChI=1S/C19H24N2O2S/c1-14(2)20-17-10-9-16(21-15-7-5-4-6-8-15)13-18(17)24-12-11-19(22)23-3/h4-10,13-14,20-21H,11-12H2,1-3H3