6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-(3,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O1

InChI

InChI=1S/C20H23NO6S/c1-11-7-14(22)18(20(23)27-11)13-10-17(28-6-5-21-13)12-8-15(24-2)19(26-4)16(9-12)25-3/h7-9,17,21H,5-6,10H2,1-4H3/t17-/m0/s1