2-dimethylaminoethyl 7H-benzo[c][1,5]benzoxathiepine-4-carboxylate

Systemtic Name: 2-dimethylaminoethyl 7H-benzo[c][1,5]benzoxathiepine-4-carboxylate Openeye Name: 2-dimethylaminoethyl 7H-benzo[c][1,5]benzoxathiepine-4-carboxylate CAS Name: 7H-benzo[c][1,5]benzoxathiepin-4-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 7H-benzo[c][1,5]benzoxathiepine-4-carboxylate Traditional Name: 7H-benzo[c][1,5]benzoxathiepin-4-carboxylic acid 2-dimethylaminoethyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C2C(=CC=C1)SC3=CC=CCC3=CO2

Isomeric SMILES

CN(C)CCOC(=O)C1=C2C(=CC=C1)SC3=CC=CCC3=CO2

InChI

InChI=1S/C18H19NO3S/c1-19(2)10-11-21-18(20)14-7-5-9-16-17(14)22-12-13-6-3-4-8-15(13)23-16/h3-5,7-9,12H,6,10-11H2,1-2H3