ethyl 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxylate

Systemtic Name: ethyl 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxylate Openeye Name: ethyl 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxylate CAS Name: 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepine-1-carboxylate Traditional Name: 4-butyl-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzothiepin-1-carboxylic acid ethyl ester Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)OCC)OC)OC

Isomeric SMILES

CCCCC1CC2=CC(=C(C=C2C(SC1)C(=O)OCC)OC)OC

InChI

InChI=1S/C19H28O4S/c1-5-7-8-13-9-14-10-16(21-3)17(22-4)11-15(14)18(24-12-13)19(20)23-6-2/h10-11,13,18H,5-9,12H2,1-4H3