[4-(thiophen-2-ylcarbonylamino)phenyl] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O5S/c25-20-11-12-28-18-5-2-1-4-17(18)24(20)14-21(26)29-16-9-7-15(8-10-16)23-22(27)19-6-3-13-30-19/h1-10,13H,11-12,14H2,(H,23,27)