propan-2-yl 6-methyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 6-methyl-2-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-14(2)30-22(29)20-17-10-9-15(3)11-18(17)32-21(20)25-19(28)12-31-23-26-24-13-27(23)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,28)