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

Systemtic Name: 6-methyl-3-[(7S)-7-(4-methylsulfanylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(7S)-7-(4-methylsulfanylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-[4-(methylthio)phenyl]-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-(4-methylsulfanylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-[4-(methylthio)phenyl]-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S2/c1-11-9-15(20)17(18(21)22-11)14-10-16(24-8-7-19-14)12-3-5-13(23-2)6-4-12/h3-6,9,16,19H,7-8,10H2,1-2H3/t16-/m0/s1