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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

InChI

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