(2-azanyl-5-methoxy-4-prop-2-enoxy-phenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone

Systemtic Name: (2-azanyl-5-methoxy-4-prop-2-enoxy-phenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone Openeye Name: (4-allyloxy-2-amino-5-methoxy-phenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone CAS Name: (2-amino-5-methoxy-4-prop-2-enoxyphenyl)-[(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]methanone IUPAC Name: (2-amino-5-methoxy-4-prop-2-enoxyphenyl)-[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]methanone Traditional Name: (4-allyloxy-2-amino-5-methoxy-phenyl)-[(2S)-2-[bis(ethylthio)methyl]pyrrolidino]methanone Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)C2=CC(=C(C=C2N)OCC=C)OC)SCC

Isomeric SMILES

CCSC([C@@H]1CCCN1C(=O)C2=CC(=C(C=C2N)OCC=C)OC)SCC

InChI

InChI=1S/C20H30N2O3S2/c1-5-11-25-18-13-15(21)14(12-17(18)24-4)19(23)22-10-8-9-16(22)20(26-6-2)27-7-3/h5,12-13,16,20H,1,6-11,21H2,2-4H3/t16-/m0/s1