dimethyl 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate

Systemtic Name: dimethyl 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate Openeye Name: dimethyl 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate CAS Name: 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate Traditional Name: 5a-methyl-2-phenyl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylic acid dimethyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=CC3=CC=CC=C3N1N=C(SC(=C2C(=O)OC)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC12C=CC3=CC=CC=C3N1N=C(SC(=C2C(=O)OC)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H20N2O4S/c1-23-14-13-15-9-7-8-12-17(15)25(23)24-20(16-10-5-4-6-11-16)30-19(22(27)29-3)18(23)21(26)28-2/h4-14H,1-3H3