2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)allyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(4-methoxyphenyl)-5-[(E)-3-(4-methoxyphenyl)allyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCN2C(=O)CC(SC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25NO3S/c1-29-21-13-9-19(10-14-21)6-5-17-27-23-7-3-4-8-24(23)31-25(18-26(27)28)20-11-15-22(30-2)16-12-20/h3-16,25H,17-18H2,1-2H3/b6-5+