3-[2-bromanyl-3-(4-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoyl]-4-(phenylmethyl)-1,3-oxazolidin-2-one

Systemtic Name: 3-[2-bromanyl-3-(4-dodec-1-ynylthiophen-2-yl)-3-oxidanyl-propanoyl]-4-(phenylmethyl)-1,3-oxazolidin-2-one Openeye Name: 4-benzyl-3-[2-bromo-3-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-propanoyl]oxazolidin-2-one CAS Name: 3-[2-bromo-3-(4-dodec-1-ynyl-2-thiophenyl)-3-hydroxy-1-oxopropyl]-4-(phenylmethyl)-2-oxazolidinone IUPAC Name: 4-benzyl-3-[2-bromo-3-(4-dodec-1-ynylthiophen-2-yl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one Traditional Name: 4-benzyl-3-[2-bromo-3-(4-dodec-1-ynyl-2-thienyl)-3-hydroxy-propanoyl]oxazolidin-2-one Formula: C29H36BrNO4S MolecularWeight: 574.56944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CSC(=C1)C(C(C(=O)N2C(COC2=O)CC3=CC=CC=C3)Br)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CSC(=C1)C(C(C(=O)N2C(COC2=O)CC3=CC=CC=C3)Br)O

InChI

InChI=1S/C29H36BrNO4S/c1-2-3-4-5-6-7-8-9-10-12-17-23-19-25(36-21-23)27(32)26(30)28(33)31-24(20-35-29(31)34)18-22-15-13-11-14-16-22/h11,13-16,19,21,24,26-27,32H,2-10,18,20H2,1H3