2-diethylaminoethyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: 2-diethylaminoethyl 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: 2-diethylaminoethyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)propionic acid 2-diethylaminoethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2

InChI

InChI=1S/C23H27NO3S/c1-4-24(5-2)12-13-27-23(26)16(3)17-10-11-21-18(14-17)15-20(25)19-8-6-7-9-22(19)28-21/h6-11,14,16H,4-5,12-13,15H2,1-3H3