2-[2-(3-nitrophenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[2-(3-nitrophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[2-(3-nitrophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[2-(3-nitrophenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c20-16-9-15(11-4-3-5-12(8-11)19(23)24)25-14-7-2-1-6-13(14)18(16)10-17(21)22/h1-8,15H,9-10H2,(H,21,22)