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

Systemtic Name: 6-methyl-3-[(7S)-7-(2,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-(2,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-(2,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-(2,4,5-trimethoxyphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 3-[(7S)-7-asaryl-1,4-thiazepan-5-ylidene]-6-methyl-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=C3OC)OC)OC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC(=C(C=C3OC)OC)OC)C(=O)O1

InChI

InChI=1S/C20H23NO6S/c1-11-7-14(22)19(20(23)27-11)13-9-18(28-6-5-21-13)12-8-16(25-3)17(26-4)10-15(12)24-2/h7-8,10,18,21H,5-6,9H2,1-4H3/t18-/m0/s1