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

Systemtic Name: dimethyl 5a-methyl-2-thiophen-2-yl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate Openeye Name: dimethyl 5a-methyl-2-(2-thienyl)-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate CAS Name: 5a-methyl-2-thiophen-2-yl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5a-methyl-2-thiophen-2-yl-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylate Traditional Name: 5a-methyl-2-(2-thienyl)-[1,3,4]thiadiazepino[4,5-a]quinoline-4,5-dicarboxylic acid dimethyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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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=CS4

Isomeric SMILES

CC12C=CC3=CC=CC=C3N1N=C(SC(=C2C(=O)OC)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S2/c1-21-11-10-13-7-4-5-8-14(13)23(21)22-18(15-9-6-12-28-15)29-17(20(25)27-3)16(21)19(24)26-2/h4-12H,1-3H3