4-methyl-9-nitro-7-(thiophen-2-ylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione

Systemtic Name: 4-methyl-9-nitro-7-(thiophen-2-ylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione Openeye Name: 4-methyl-9-nitro-7-(2-thienylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione CAS Name: 4-methyl-9-nitro-7-(thiophen-2-ylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione IUPAC Name: 4-methyl-9-nitro-7-(thiophen-2-ylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione Traditional Name: 4-methyl-9-nitro-7-(2-thienylsulfonylmethyl)-4,5-dihydro-1H-3,1-benzoxazepine-2-thione Formula: C15H14N2O5S3 MolecularWeight: 398.47706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=CC(=C2NC(=S)O1)[N+](=O)[O-])CS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1CC2=CC(=CC(=C2NC(=S)O1)[N+](=O)[O-])CS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H14N2O5S3/c1-9-5-11-6-10(8-25(20,21)13-3-2-4-24-13)7-12(17(18)19)14(11)16-15(23)22-9/h2-4,6-7,9H,5,8H2,1H3,(H,16,23)