[5-acetamido-3,4-diacetyloxy-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl ethanoate

Systemtic Name: [5-acetamido-3,4-diacetyloxy-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl ethanoate Openeye Name: [5-acetamido-3,4-diacetoxy-6-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [5-acetamido-3,4-diacetyloxy-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-oxanyl]methyl ester IUPAC Name: [5-acetamido-3,4-diacetyloxy-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate Traditional Name: acetic acid [5-acetamido-3,4-diacetoxy-6-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]tetrahydropyran-2-yl]methyl ester Formula: C25H30N4O8S MolecularWeight: 546.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC2=NN=C(N2CC=C)C3=CC=CC=C3)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)NC1C(C(C(OC1SC2=NN=C(N2CC=C)C3=CC=CC=C3)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H30N4O8S/c1-6-12-29-23(18-10-8-7-9-11-18)27-28-25(29)38-24-20(26-14(2)30)22(36-17(5)33)21(35-16(4)32)19(37-24)13-34-15(3)31/h6-11,19-22,24H,1,12-13H2,2-5H3,(H,26,30)