6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-oxidanylidene-pyran-2-olate

Systemtic Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-oxidanylidene-pyran-2-olate Openeye Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-oxo-pyran-2-olate CAS Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-oxo-2-pyranolate IUPAC Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-oxopyran-2-olate Traditional Name: 4-keto-6-methyl-3-[(2S)-2-(2-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyran-2-olate Formula: C21H15N2O5S- MolecularWeight: 407.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3SC(C2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)[O-])C2=NC3=CC=CC=C3S[C@@H](C2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5S/c1-12-10-17(24)20(21(25)28-12)15-11-19(13-6-2-4-8-16(13)23(26)27)29-18-9-5-3-7-14(18)22-15/h2-10,19,25H,11H2,1H3/p-1/t19-/m0/s1