(E)-but-2-enedioic acid; 1-(3-ethylsulfanylpyrazin-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-ethylsulfanylpyrazin-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol Openeye Name: 1-(3-ethylsulfanylpyrazin-2-yl)oxy-3-(isopropylamino)propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[[3-(ethylthio)-2-pyrazinyl]oxy]-3-(propan-2-ylamino)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(3-ethylsulfanylpyrazin-2-yl)oxy-3-(propan-2-ylamino)propan-2-ol Traditional Name: 1-[3-(ethylthio)pyrazin-2-yl]oxy-3-(isopropylamino)propan-2-ol; fumaric acid Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=CN=C1OCC(CNC(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCSC1=NC=CN=C1OCC(CNC(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H21N3O2S.C4H4O4/c1-4-18-12-11(13-5-6-14-12)17-8-10(16)7-15-9(2)3;5-3(6)1-2-4(7)8/h5-6,9-10,15-16H,4,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+