1-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-[(E)-2-chloranylethenyl]pyrimidine-2,4-dione

Systemtic Name: 1-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-[(E)-2-chloranylethenyl]pyrimidine-2,4-dione Openeye Name: 5-[(E)-2-chlorovinyl]-1-[(3S,4S,5R)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione CAS Name: 1-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-thiolanyl]-5-[(E)-2-chloroethenyl]pyrimidine-2,4-dione IUPAC Name: 1-[(3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-[(E)-2-chloroethenyl]pyrimidine-2,4-dione Traditional Name: 5-[(E)-2-chlorovinyl]-1-[(3S,4S,5R)-3,4-dibenzoxy-5-(benzoxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone Formula: C32H31ClN2O5S MolecularWeight: 591.11694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(S2)N3C=C(C(=O)NC3=O)C=CCl)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C(S2)N3C=C(C(=O)NC3=O)/C=C/Cl)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H31ClN2O5S/c33-17-16-26-18-35(32(37)34-30(26)36)31-29(40-21-25-14-8-3-9-15-25)28(39-20-24-12-6-2-7-13-24)27(41-31)22-38-19-23-10-4-1-5-11-23/h1-18,27-29,31H,19-22H2,(H,34,36,37)/b17-16+/t27-,28-,29+,31?/m1/s1