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

Systemtic Name: (3E)-6-methyl-3-[7-(5-thiophen-2-ylthiophen-2-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[7-[5-(2-thienyl)-2-thienyl]-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[7-(5-thiophen-2-yl-2-thiophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[7-(5-thiophen-2-ylthiophen-2-yl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[7-[5-(2-thienyl)-2-thienyl]-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C19H17NO3S3 MolecularWeight: 403.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=C(S3)C4=CC=CS4)C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC=C(S3)C4=CC=CS4)/C(=O)O1

InChI

InChI=1S/C19H17NO3S3/c1-11-9-13(21)18(19(22)23-11)12-10-17(25-8-6-20-12)16-5-4-15(26-16)14-3-2-7-24-14/h2-5,7,9,17,20H,6,8,10H2,1H3/b18-12+