[(3S,4R)-3-acetyloxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl ethanoate

Systemtic Name: [(3S,4R)-3-acetyloxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl ethanoate Openeye Name: [(3S,4R)-3-acetoxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl acetate CAS Name: acetic acid [(3S,4R)-3-acetyloxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl ester IUPAC Name: [(3S,4R)-3-acetyloxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl acetate Traditional Name: acetic acid [(3S,4R)-3-acetoxy-4-(2-diethylaminoethyl)-7-methoxy-2,3-dihydro-1,5-benzoxathiepin-4-yl]methyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C(COC2=C(S1)C=C(C=C2)OC)OC(=O)C)COC(=O)C

Isomeric SMILES

CCN(CC)CC[C@]1([C@H](COC2=C(S1)C=C(C=C2)OC)OC(=O)C)COC(=O)C

InChI

InChI=1S/C21H31NO6S/c1-6-22(7-2)11-10-21(14-27-15(3)23)20(28-16(4)24)13-26-18-9-8-17(25-5)12-19(18)29-21/h8-9,12,20H,6-7,10-11,13-14H2,1-5H3/t20-,21+/m0/s1