methyl 4-(7-oxidanylidene-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate

Systemtic Name: methyl 4-(7-oxidanylidene-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate Openeye Name: methyl 4-(7-oxo-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate CAS Name: 4-(7-oxo-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-oxo-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate Traditional Name: 4-(7-keto-3-phenyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(NNC3=NC(=O)CS2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(NNC3=NC(=O)CS2)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c1-26-20(25)14-9-7-13(8-10-14)18-16-17(12-5-3-2-4-6-12)22-23-19(16)21-15(24)11-27-18/h2-10,18H,11H2,1H3,(H2,21,22,23,24)