ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(m-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxo-propanoate CAS Name: 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate Traditional Name: 2-keto-3-[2-(m-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]propionic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CC1=NC2=CC=CC=C2SC(C1)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C(=O)CC1=NC2=CC=CC=C2SC(C1)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H21NO3S/c1-3-25-21(24)18(23)12-16-13-20(15-8-6-7-14(2)11-15)26-19-10-5-4-9-17(19)22-16/h4-11,20H,3,12-13H2,1-2H3