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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C17H16N2O5S/c1-10-8-14(20)16(17(21)24-10)12-9-15(25-7-6-18-12)11-4-2-3-5-13(11)19(22)23/h2-5,8,15,18H,6-7,9H2,1H3/t15-/m0/s1