N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CC2C(=O)NC3=CC=CC=C3O2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C20H19N3O3S/c21-12-14-5-1-2-6-15(14)13-27-10-9-22-19(24)11-18-20(25)23-16-7-3-4-8-17(16)26-18/h1-8,18H,9-11,13H2,(H,22,24)(H,23,25)/t18-/m0/s1