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

Systemtic Name: 6-methyl-3-[(7S)-7-pyridin-2-yl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-(2-pyridyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-(2-pyridinyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-pyridin-2-yl-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-(2-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=CC=CC=N3)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC=CC=N3)C(=O)O1

InChI

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