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

Systemtic Name: (3E)-6-methyl-3-[7-(4-nitrophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[7-(4-nitrophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[7-(4-nitrophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[7-(4-nitrophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[7-(4-nitrophenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)O1

InChI

InChI=1S/C17H16N2O5S/c1-10-8-14(20)16(17(21)24-10)13-9-15(25-7-6-18-13)11-2-4-12(5-3-11)19(22)23/h2-5,8,15,18H,6-7,9H2,1H3/b16-13+