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

Systemtic Name: 3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-pyran-2-one Openeye Name: 3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-pyran-2-one CAS Name: 3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-2-pyranone IUPAC Name: 3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methylpyran-2-one Traditional Name: 3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-pyran-2-one Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-12-6-7-15(18(20)22-12)16-11-17(23-9-8-19-16)13-4-3-5-14(10-13)21-2/h3-7,10,17H,8-9,11H2,1-2H3