[5-(3-chloranyl-2-methyl-propyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [5-(3-chloranyl-2-methyl-propyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [5-(3-chloro-2-methyl-propyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [5-(3-chloro-2-methylpropyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(3-chloro-2-methylpropyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [5-(3-chloro-2-methyl-propyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC)CCl

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC)CCl

InChI

InChI=1S/C22H24ClNO4S/c1-14(12-23)13-24-18-6-4-5-7-19(18)29-21(20(22(24)26)28-15(2)25)16-8-10-17(27-3)11-9-16/h4-11,14,20-21H,12-13H2,1-3H3