ethyl 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylsulfanyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydro-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

Systemtic Name: ethyl 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylsulfanyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydro-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate Openeye Name: ethyl 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylsulfanyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydrotriazolo[1,5-a]quinazoline-3-carboxylate CAS Name: 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylthio)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydrotriazolo[1,5-a]quinazoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylsulfanyl)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydrotriazolo[1,5-a]quinazoline-3-carboxylate Traditional Name: 5-(2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazol-2-ylthio)-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydrotriazolo[1,5-a]quinazoline-3-carboxylic acid ethyl ester Formula: C19H33N5O3S MolecularWeight: 411.56202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2NC(C3CCCCC3N2NN1)SC4NC5CCCCC5O4

Isomeric SMILES

CCOC(=O)C1C2NC(C3CCCCC3N2NN1)SC4NC5CCCCC5O4

InChI

InChI=1S/C19H33N5O3S/c1-2-26-18(25)15-16-21-17(11-7-3-5-9-13(11)24(16)23-22-15)28-19-20-12-8-4-6-10-14(12)27-19/h11-17,19-23H,2-10H2,1H3