[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5S/c1-18-13-14-27(21-9-5-6-10-22(21)34-18)24(30)17-33-25(31)20-11-12-23(29)28(26-20)15-16-32-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3