(2S)-N-(3-cyanothiophen-2-yl)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-(3-cyano-2-thienyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-(3-cyano-2-thiophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-(3-cyanothiophen-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-(3-cyano-2-thienyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C16H13N3O3S/c1-10(20)19-9-14(22-13-5-3-2-4-12(13)19)15(21)18-16-11(8-17)6-7-23-16/h2-7,14H,9H2,1H3,(H,18,21)/t14-/m0/s1