methyl 2-[2-[[(5S,5aS,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-[[(5S,5aS,8aR,9R)-8-oxidanylidene-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: methyl 2-[2-[[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-4-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[[(5S,5aS,8aR,9R)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[(5S,5aS,8aR,9R)-8-keto-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]thiazol-4-yl]acetic acid methyl ester Formula: C28H28N2O9S MolecularWeight: 568.59492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=NC(=CS6)CC(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=NC(=CS6)CC(=O)OC

InChI

InChI=1S/C28H28N2O9S/c1-33-20-5-13(6-21(34-2)26(20)36-4)23-15-8-18-19(39-12-38-18)9-16(15)25(17-10-37-27(32)24(17)23)30-28-29-14(11-40-28)7-22(31)35-3/h5-6,8-9,11,17,23-25H,7,10,12H2,1-4H3,(H,29,30)/t17-,23+,24-,25+/m0/s1