2-(4-methoxyphenyl)-3-oxidanyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-3-oxidanyl-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 8-benzyloxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(4-methoxyphenyl)-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(4-methoxyphenyl)-8-phenylmethoxy-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 8-benzoxy-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C23H21NO4S/c1-27-17-9-7-16(8-10-17)22-21(25)23(26)24-19-12-11-18(13-20(19)29-22)28-14-15-5-3-2-4-6-15/h2-13,21-22,25H,14H2,1H3,(H,24,26)