methyl 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethoxy]benzoic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21NO4S/c1-14-11-12-21(17-5-3-4-6-18(17)26-14)19(22)13-25-16-9-7-15(8-10-16)20(23)24-2/h3-10,14H,11-13H2,1-2H3