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

Systemtic Name: 6-methyl-3-[(7S)-7-pyridin-3-yl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-(3-pyridyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-(3-pyridinyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-pyridin-3-yl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-(3-pyridyl)-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-10-7-13(19)15(16(20)21-10)12-8-14(22-6-5-18-12)11-3-2-4-17-9-11/h2-4,7,9,14,18H,5-6,8H2,1H3/t14-/m0/s1