ethyl 2-[4-(heptylamino)phenyl]sulfanyl-3-methyl-butanoate

Systemtic Name: ethyl 2-[4-(heptylamino)phenyl]sulfanyl-3-methyl-butanoate Openeye Name: ethyl 2-[4-(heptylamino)phenyl]sulfanyl-3-methyl-butanoate CAS Name: 2-[[4-(heptylamino)phenyl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(heptylamino)phenyl]sulfanyl-3-methylbutanoate Traditional Name: 2-[[4-(heptylamino)phenyl]thio]-3-methyl-butyric acid ethyl ester Formula: C20H33NO2S MolecularWeight: 351.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=C(C=C1)SC(C(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCNC1=CC=C(C=C1)SC(C(C)C)C(=O)OCC

InChI

InChI=1S/C20H33NO2S/c1-5-7-8-9-10-15-21-17-11-13-18(14-12-17)24-19(16(3)4)20(22)23-6-2/h11-14,16,19,21H,5-10,15H2,1-4H3