2-(2-methylphenyl)sulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Systemtic Name: 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Openeye Name: 2-(o-tolylsulfanyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone CAS Name: 2-[(2-methylphenyl)thio]-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone IUPAC Name: 2-(2-methylphenyl)sulfanyl-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Traditional Name: 2-(o-tolylthio)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-17-9-3-6-12-21(17)29-16-22(26)25-15-20(23(27)24-13-7-2-8-14-24)28-19-11-5-4-10-18(19)25/h3-6,9-12,20H,2,7-8,13-16H2,1H3/t20-/m0/s1