ethyl 3-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-methylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(4-methyl-5-thiadiazolyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-methylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(N=NS4)C

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=C(N=NS4)C

InChI

InChI=1S/C20H22N6O3S/c1-3-29-20(28)16-18(22-15-8-5-4-7-14(15)21-16)25-9-6-10-26(12-11-25)19(27)17-13(2)23-24-30-17/h4-5,7-8H,3,6,9-12H2,1-2H3