[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1-benzothiepin-3-yl] ethanoate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1-benzothiepin-3-yl] ethanoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1-benzothiepin-3-yl] acetate CAS Name: acetic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1-benzothiepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1-benzothiepin-3-yl] acetate Traditional Name: acetic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1-benzothiepin-3-yl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2C(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2C(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27NO4S/c1-15(25)28-22-21(26)19(13-14-24(2)3)18-7-5-6-8-20(18)29-23(22)16-9-11-17(27-4)12-10-16/h5-12,19,22-23H,13-14H2,1-4H3