(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)NC1=O

InChI

InChI=1S/C18H14N4O4S/c23-16-7-8-27-15-6-5-11(9-14(15)19-16)18(25)26-10-22-17(24)12-3-1-2-4-13(12)20-21-22/h1-6,9H,7-8,10H2,(H,19,23)