3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methyl-pyran-2-one

Systemtic Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methyl-pyran-2-one Openeye Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methyl-pyran-2-one CAS Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methyl-2-pyranone IUPAC Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methylpyran-2-one Traditional Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-methoxy-6-methyl-pyran-2-one Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)OC

InChI

InChI=1S/C20H23NO5S/c1-12-9-17(25-4)19(20(22)26-12)15-11-18(27-8-7-21-15)14-6-5-13(23-2)10-16(14)24-3/h5-6,9-10,18H,7-8,11H2,1-4H3