2-(2-methoxyphenyl)-5-(quinolin-5-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2-methoxyphenyl)-5-(quinolin-5-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(2-methoxyphenyl)-5-(5-quinolylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(2-methoxyphenyl)-5-(5-quinolinylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(2-methoxyphenyl)-5-(quinolin-5-ylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(2-methoxyphenyl)-5-(5-quinolylmethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)N(C3=CC=CC=C3S2)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)N(C3=CC=CC=C3S2)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C26H22N2O2S/c1-30-23-13-4-2-9-20(23)25-16-26(29)28(22-12-3-5-14-24(22)31-25)17-18-8-6-11-21-19(18)10-7-15-27-21/h2-15,25H,16-17H2,1H3