1-(2-hydroxyethyloxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-5,6-dihydropyrimido[4,5-b][1,5]benzothiazepine-2,4-quinone Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3N1

Isomeric SMILES

C1C2=C(N(C(=O)NC2=O)COCCO)SC3=CC=CC=C3N1

InChI

InChI=1S/C14H15N3O4S/c18-5-6-21-8-17-13-9(12(19)16-14(17)20)7-15-10-3-1-2-4-11(10)22-13/h1-4,15,18H,5-8H2,(H,16,19,20)