ethyl 2-acetamido-3-[4-[(E)-dodec-1-enyl]thiophen-2-yl]-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-acetamido-3-[4-[(E)-dodec-1-enyl]thiophen-2-yl]-3-oxidanyl-propanoate Openeye Name: ethyl 2-acetamido-3-[4-[(E)-dodec-1-enyl]-2-thienyl]-3-hydroxy-propanoate CAS Name: 2-acetamido-3-[4-[(E)-dodec-1-enyl]-2-thiophenyl]-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[4-[(E)-dodec-1-enyl]thiophen-2-yl]-3-hydroxypropanoate Traditional Name: 2-acetamido-3-[4-[(E)-dodec-1-enyl]-2-thienyl]-3-hydroxy-propionic acid ethyl ester Formula: C23H37NO4S MolecularWeight: 423.60918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC1=CSC(=C1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCC/C=C/C1=CSC(=C1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C23H37NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-20(29-17-19)22(26)21(24-18(3)25)23(27)28-5-2/h14-17,21-22,26H,4-13H2,1-3H3,(H,24,25)/b15-14+