methyl (E)-2-acetamido-11-(oxan-2-yloxy)-7-oxidanyl-4-phenyl-3-sulfanyl-undec-4-enoate

Systemtic Name: methyl (E)-2-acetamido-11-(oxan-2-yloxy)-7-oxidanyl-4-phenyl-3-sulfanyl-undec-4-enoate Openeye Name: methyl (E)-2-acetamido-7-hydroxy-4-phenyl-3-sulfanyl-11-tetrahydropyran-2-yloxy-undec-4-enoate CAS Name: (E)-2-acetamido-7-hydroxy-3-mercapto-11-(2-oxanyloxy)-4-phenyl-4-undecenoic acid methyl ester IUPAC Name: methyl (E)-2-acetamido-7-hydroxy-11-(oxan-2-yloxy)-4-phenyl-3-sulfanylundec-4-enoate Traditional Name: (E)-2-acetamido-7-hydroxy-3-mercapto-4-phenyl-11-tetrahydropyran-2-yloxy-undec-4-enoic acid methyl ester Formula: C25H37NO6S MolecularWeight: 479.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(C(=CCC(CCCCOC1CCCCO1)O)C2=CC=CC=C2)S)C(=O)OC

Isomeric SMILES

CC(=O)NC(C(/C(=C/CC(CCCCOC1CCCCO1)O)/C2=CC=CC=C2)S)C(=O)OC

InChI

InChI=1S/C25H37NO6S/c1-18(27)26-23(25(29)30-2)24(33)21(19-10-4-3-5-11-19)15-14-20(28)12-6-8-16-31-22-13-7-9-17-32-22/h3-5,10-11,15,20,22-24,28,33H,6-9,12-14,16-17H2,1-2H3,(H,26,27)/b21-15+