ethyl 2-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C20H25N5O4S/c1-2-29-18(27)15-5-3-4-6-16(15)21-17(26)13-30-20-23-22-19(25(20)14-7-8-14)24-9-11-28-12-10-24/h3-6,14H,2,7-13H2,1H3,(H,21,26)