5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-(4-nitrobenzyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-16-9-10-22-15-4-2-1-3-14(15)17(16)11-12-5-7-13(8-6-12)18(20)21/h1-8H,9-11H2