N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CN(C4=CC=CC=C4O3)C(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CN(C4=CC=CC=C4O3)C(=O)C

InChI

InChI=1S/C21H21N3O3S/c1-12-7-8-14-15(10-22)21(28-19(14)9-12)23-20(26)18-11-24(13(2)25)16-5-3-4-6-17(16)27-18/h3-6,12,18H,7-9,11H2,1-2H3,(H,23,26)