3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-10,10-bis(oxidanylidene)thioxanthen-9-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-10,10-dioxo-thioxanthen-9-one CAS Name: 3-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-10,10-dioxo-9-thioxanthenone IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-10,10-dioxothioxanthen-9-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-10,10-diketo-thioxanthen-9-one Formula: C23H17NO4S2 MolecularWeight: 435.51538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H17NO4S2/c25-22-16-6-1-4-9-20(16)30(27,28)21-14-15(10-11-17(21)22)23(26)24-12-5-13-29-19-8-3-2-7-18(19)24/h1-4,6-11,14H,5,12-13H2