(2R)-4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(E)-3-(5-bromo-2-thienyl)acryloyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-19-17(22)14-10-20(12-4-2-3-5-13(12)23-14)16(21)9-7-11-6-8-15(18)24-11/h2-9,14H,10H2,1H3,(H,19,22)/b9-7+/t14-/m1/s1