[(2S,3S,4S,6S)-4-(but-3-enoylamino)-2-methyl-6-phenylsulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4S,6S)-4-(but-3-enoylamino)-2-methyl-6-phenylsulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4S,6S)-4-(but-3-enoylamino)-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4S,6S)-2-methyl-4-(1-oxobut-3-enylamino)-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,6S)-4-(but-3-enoylamino)-2-methyl-6-phenylsulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4S,6S)-4-(but-3-enoylamino)-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)SC2=CC=CC=C2)NC(=O)CC=C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)SC2=CC=CC=C2)NC(=O)CC=C)OC(=O)C

InChI

InChI=1S/C18H23NO4S/c1-4-8-16(21)19-15-11-17(24-14-9-6-5-7-10-14)22-12(2)18(15)23-13(3)20/h4-7,9-10,12,15,17-18H,1,8,11H2,2-3H3,(H,19,21)/t12-,15-,17-,18+/m0/s1