ethyl 2-[[2-[2-chloranyl-4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylphenyl]methyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-chloranyl-4-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]phenyl]sulfanylphenyl]methyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[2-[2-chloro-4-[(E)-3-morpholino-3-oxo-prop-1-enyl]phenyl]sulfanylphenyl]methyl-methyl-amino]acetate CAS Name: 2-[[2-[[2-chloro-4-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]phenyl]thio]phenyl]methyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-chloro-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl]sulfanylphenyl]methyl-methylamino]acetate Traditional Name: 2-[[2-[[2-chloro-4-[(E)-3-keto-3-morpholino-prop-1-enyl]phenyl]thio]benzyl]-methyl-amino]acetic acid ethyl ester Formula: C25H29ClN2O4S MolecularWeight: 489.02676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCOCC3)Cl

Isomeric SMILES

CCOC(=O)CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCOCC3)Cl

InChI

InChI=1S/C25H29ClN2O4S/c1-3-32-25(30)18-27(2)17-20-6-4-5-7-22(20)33-23-10-8-19(16-21(23)26)9-11-24(29)28-12-14-31-15-13-28/h4-11,16H,3,12-15,17-18H2,1-2H3/b11-9+