ethyl 3-[[7-(oxan-2-yloxy)-4-phenylsulfanyl-hept-2-ynylidene]amino]butanoate

Systemtic Name: ethyl 3-[[7-(oxan-2-yloxy)-4-phenylsulfanyl-hept-2-ynylidene]amino]butanoate Openeye Name: ethyl 3-[(4-phenylsulfanyl-7-tetrahydropyran-2-yloxy-hept-2-ynylidene)amino]butanoate CAS Name: 3-[[7-(2-oxanyloxy)-4-(phenylthio)hept-2-ynylidene]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[7-(oxan-2-yloxy)-4-phenylsulfanylhept-2-ynylidene]amino]butanoate Traditional Name: 3-[[4-(phenylthio)-7-tetrahydropyran-2-yloxy-hept-2-ynylidene]amino]butyric acid ethyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N=CC#CC(CCCOC1CCCCO1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C)N=CC#CC(CCCOC1CCCCO1)SC2=CC=CC=C2

InChI

InChI=1S/C24H33NO4S/c1-3-27-23(26)19-20(2)25-16-9-13-22(30-21-11-5-4-6-12-21)14-10-18-29-24-15-7-8-17-28-24/h4-6,11-12,16,20,22,24H,3,7-8,10,14-15,17-19H2,1-2H3