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

Systemtic Name: 2-[3-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: 2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate IUPAC Name: 2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[4-keto-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Formula: C18H16NO4S- MolecularWeight: 342.38894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CSC3=CC=CC=C3N(C2=O)CC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CSC3=CC=CC=C3N(C2=O)CC(=O)[O-]

InChI

InChI=1S/C18H17NO4S/c1-23-13-8-6-12(7-9-13)14-11-24-16-5-3-2-4-15(16)19(18(14)22)10-17(20)21/h2-9,14H,10-11H2,1H3,(H,20,21)/p-1