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

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-5-(pyridin-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-5-(2-pyridylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [2-(4-methoxyphenyl)-4-oxo-5-(2-pyridinylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxo-5-(pyridin-2-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [4-keto-2-(4-methoxyphenyl)-5-(2-pyridylmethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC3=CC=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC3=CC=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H22N2O4S/c1-16(27)30-22-23(17-10-12-19(29-2)13-11-17)31-21-9-4-3-8-20(21)26(24(22)28)15-18-7-5-6-14-25-18/h3-14,22-23H,15H2,1-2H3