(2S)-4-[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[(E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(E)-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[(E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[(E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2N1C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H20N4O3S/c26-25(31)21-16-28(19-9-4-5-10-20(19)32-21)23(30)13-12-17-15-29(18-7-2-1-3-8-18)27-24(17)22-11-6-14-33-22/h1-15,21H,16H2,(H2,26,31)/b13-12+/t21-/m0/s1