2-(2-hydroxyethyloxy)ethyl 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: 2-(2-hydroxyethyloxy)ethyl 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: 2-(2-hydroxyethoxy)ethyl 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid 2-(2-hydroxyethoxy)ethyl ester IUPAC Name: 2-(2-hydroxyethoxy)ethyl 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(5-keto-8-methyl-6H-benzo[b][1]benzothiepin-3-yl)propionic acid 2-(2-hydroxyethoxy)ethyl ester Formula: C22H24O5S MolecularWeight: 400.48796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)OCCOCCO)C(=O)C2

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)OCCOCCO)C(=O)C2

InChI

InChI=1S/C22H24O5S/c1-14-3-5-20-17(11-14)13-19(24)18-12-16(4-6-21(18)28-20)15(2)22(25)27-10-9-26-8-7-23/h3-6,11-12,15,23H,7-10,13H2,1-2H3