2-(1,2-benzothiazepin-3-yl)isoindole-1,3-dione; tert-butyl ethanoate

Systemtic Name: 2-(1,2-benzothiazepin-3-yl)isoindole-1,3-dione; tert-butyl ethanoate Openeye Name: 2-(1,2-benzothiazepin-3-yl)isoindoline-1,3-dione; tert-butyl acetate CAS Name: acetic acid tert-butyl ester; 2-(1,2-benzothiazepin-3-yl)isoindole-1,3-dione IUPAC Name: 2-(1,2-benzothiazepin-3-yl)isoindole-1,3-dione; tert-butyl acetate Traditional Name: acetic acid tert-butyl ester; 2-(1,2-benzothiazepin-3-yl)isoindoline-1,3-quinone Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C.C1=CC=C2C(=C1)C=CC(=NS2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)OC(C)(C)C.C1=CC=C2C(=C1)C=CC(=NS2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H10N2O2S.C6H12O2/c20-16-12-6-2-3-7-13(12)17(21)19(16)15-10-9-11-5-1-4-8-14(11)22-18-15;1-5(7)8-6(2,3)4/h1-10H;1-4H3