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

Systemtic Name: methyl 3-[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C17H21N5O4S2/c1-25-15(24)14-12(4-9-27-14)18-13(23)10-28-17-20-19-16(22(17)11-2-3-11)21-5-7-26-8-6-21/h4,9,11H,2-3,5-8,10H2,1H3,(H,18,23)