methyl (Z)-2-[2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]sulfinyl-3-(cyclopropylamino)prop-2-enoate

Systemtic Name: methyl (Z)-2-[2-chloranyl-5-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]sulfinyl-3-(cyclopropylamino)prop-2-enoate Openeye Name: methyl (Z)-2-[2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)phenyl]sulfinyl-3-(cyclopropylamino)prop-2-enoate CAS Name: (Z)-2-[2-chloro-5-fluoro-4-(4-methyl-1-piperazinyl)phenyl]sulfinyl-3-(cyclopropylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-[2-chloro-5-fluoro-4-(4-methylpiperazin-1-yl)phenyl]sulfinyl-3-(cyclopropylamino)prop-2-enoate Traditional Name: (Z)-2-[2-chloro-5-fluoro-4-(4-methylpiperazino)phenyl]sulfinyl-3-(cyclopropylamino)acrylic acid methyl ester Formula: C18H23ClFN3O3S MolecularWeight: 415.909923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2F)S(=O)C(=CNC3CC3)C(=O)OC)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2F)S(=O)/C(=C\NC3CC3)/C(=O)OC)Cl

InChI

InChI=1S/C18H23ClFN3O3S/c1-22-5-7-23(8-6-22)15-9-13(19)16(10-14(15)20)27(25)17(18(24)26-2)11-21-12-3-4-12/h9-12,21H,3-8H2,1-2H3/b17-11-