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

Systemtic Name: (3E)-6-methyl-3-[7-(5-methylsulfanylthiophen-2-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[7-(5-methylsulfanyl-2-thienyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[7-[5-(methylthio)-2-thiophenyl]-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[7-(5-methylsulfanylthiophen-2-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[7-[5-(methylthio)-2-thienyl]-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C16H17NO3S3 MolecularWeight: 367.50608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=C(S3)SC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC=C(S3)SC)/C(=O)O1

InChI

InChI=1S/C16H17NO3S3/c1-9-7-11(18)15(16(19)20-9)10-8-13(22-6-5-17-10)12-3-4-14(21-2)23-12/h3-4,7,13,17H,5-6,8H2,1-2H3/b15-10+